Glycoside
...
GD129877

Name:
6-({8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-10-[(2-methylbut-2-enoyl)oxy]-8a-{[(2-methylpropanoyl)oxy]methyl}-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:
C56H88O22

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(=O)C(C)C)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:
CC=C(C)C(=O)OC1C(O)C2(COC(=O)C(C)C)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: 22 RingCount: 8
HBD: 11 FractionCSP3: 0.88
AlogP: 0.98 Num_rotatable_bonds: 13
MolWt: 1113.3 Num_heavy_atoms: 78
TPSA: 347.58 NumAromaticRings: 0

Unique Aglycone
AD52617
Formula: C39H62O7

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(=O)C(C)C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.85
AlogP: 6.78 Num_rotatable_bonds: 5
MolWt: 642.92 Num_heavy_atoms: 46
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00702

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