Glycoside
...
GD025257

Name:
3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-({[6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy}methyl)oxan-2-yl 10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C78H124O37

Smiles:
C=CC(C)(O)CCC=C(CO)C(=O)OC[C@@H]1O[C@H](OC(=O)[C@@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]2(C)C[C@H]3O)C(O[C@@H]2O[C@H](C)[C@H](O[C@@H]3OC[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)C4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
C=CC(C)(O)CCC=C(CO)C(=O)OC.CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O.OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 12
HBD: 20 FractionCSP3: 0.9
AlogP: -4.82 Num_rotatable_bonds: 23
MolWt: 1653.81 Num_heavy_atoms: 115
TPSA: 577.19 NumAromaticRings: 0

Unique Aglycone
AD00309
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.2 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0
AD16770
Formula: C11H18O4

Smiles:
C=CC(C)(O)CCC=C(CO)C(=O)OC
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.55
AlogP: 0.8 Num_rotatable_bonds: 6
MolWt: 214.26 Num_heavy_atoms: 15
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD02635

CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O.OC1COC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(O)C1O