Glycoside
...
GD027336

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

Formula:
C46H74O19

Smiles:
C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)O

Aglycone:
CC1C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O

Sugarmoiety:
OC1COC(OC2C(O)COC(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 12 FractionCSP3: 0.93
AlogP: -1.67 Num_rotatable_bonds: 8
MolWt: 931.08 Num_heavy_atoms: 65
TPSA: 315.21 NumAromaticRings: 0

Unique Aglycone
AD07930
Formula: C30H48O6

Smiles:
CC1C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD01837

OC1COC(OC2C(O)COC(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O