Glycoside
...
GD006968

Name:
6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C41H62O14

Smiles:
CC1(C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 7 FractionCSP3: 0.88
AlogP: 2.79 Num_rotatable_bonds: 6
MolWt: 778.93 Num_heavy_atoms: 55
TPSA: 229.74 NumAromaticRings: 0

Unique Aglycone
AD02343
Formula: C30H46O4

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD01198

O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O