Glycoside
...
GD115088

Name:
6-{[9-(acetyloxy)-10-{[2-(acetyloxy)-2-methylbutanoyl]oxy}-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-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-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C56H88O24

Smiles:
CCC(C)(OC(C)=O)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
CCC(C)(OC(C)=O)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 11 FractionCSP3: 0.89
AlogP: 0.11 Num_rotatable_bonds: 14
MolWt: 1145.3 Num_heavy_atoms: 80
TPSA: 373.88 NumAromaticRings: 0

Unique Aglycone
AD45464
Formula: C39H62O9

Smiles:
CCC(C)(OC(C)=O)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 9 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.91 Num_rotatable_bonds: 6
MolWt: 674.92 Num_heavy_atoms: 48
TPSA: 139.59 NumAromaticRings: 0

Sugarmoiety
SD00702

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O