Glycoside
...
GD147485

Name:
6-[(10-{[2-(acetyloxy)-2-methylbutanoyl]oxy}-7,8,9-trihydroxy-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-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C59H94O28

Smiles:
CCC(C)(OC(C)=O)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(OC6OC(CO)C(O)C6O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Aglycone:
CCC(C)(OC(C)=O)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OC1OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 15 FractionCSP3: 0.92
AlogP: -3.03 Num_rotatable_bonds: 16
MolWt: 1251.37 Num_heavy_atoms: 87
TPSA: 446.96 NumAromaticRings: 0

Unique Aglycone
AD59063
Formula: C37H60O9

Smiles:
CCC(C)(OC(C)=O)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.89
AlogP: 4.31 Num_rotatable_bonds: 5
MolWt: 648.88 Num_heavy_atoms: 46
TPSA: 153.75 NumAromaticRings: 0

Sugarmoiety
SD02220

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OC1OC(CO)C(O)C1O