Glycoside
...
GD033927

Name:
10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-3,5-dihydroxy-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-carboxylic acid

Formula:
C52H84O23

Smiles:
CC1(C)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3CC(C)(C)[C@H](O)C[C@]3(C(=O)O)[C@@H](O)C[C@@]21C

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1O

Sugarmoiety:
OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 14 FractionCSP3: 0.94
AlogP: -2.25 Num_rotatable_bonds: 11
MolWt: 1077.22 Num_heavy_atoms: 75
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD00796
Formula: C30H48O5

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1O
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 1
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00350

OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O