Glycoside
...
GD152319

Name:
3,4,5-trihydroxy-6-{[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(2-methylbut-2-enoyl)oxy]-10-[(2-methylbutanoyl)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}oxane-2-carboxylic acid

Formula:
C46H72O14

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

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 7 FractionCSP3: 0.85
AlogP: 4.06 Num_rotatable_bonds: 10
MolWt: 849.07 Num_heavy_atoms: 60
TPSA: 229.74 NumAromaticRings: 0

Unique Aglycone
AD60661
Formula: C40H64O8

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.85
AlogP: 6.14 Num_rotatable_bonds: 7
MolWt: 672.94 Num_heavy_atoms: 48
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O