Glycoside
...
GD128839

Name:
6-{[7,10-bis(acetyloxy)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(2-methylbut-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C50H76O19

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C3(C)C(OC(C)=O)C(O)C21CO

Aglycone:
CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(OC(C)=O)C(O)C21CO

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

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 8 FractionCSP3: 0.84
AlogP: 2.06 Num_rotatable_bonds: 10
MolWt: 981.14 Num_heavy_atoms: 69
TPSA: 294.73 NumAromaticRings: 0

Unique Aglycone
AD52186
Formula: C39H60O9

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(OC(C)=O)C(O)C21CO
HBA: 9 RingCount: 5
HBD: 3 FractionCSP3: 0.82
AlogP: 5.68 Num_rotatable_bonds: 5
MolWt: 672.9 Num_heavy_atoms: 48
TPSA: 139.59 NumAromaticRings: 0

Sugarmoiety
SD00379

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