Glycoside
...
GD142349

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

Formula:
C54H86O24

Smiles:
CC(=O)OC1C(OC(=O)C(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO

Aglycone:
CC(=O)OC1C(OC(=O)C(C)C)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(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 13 FractionCSP3: 0.91
AlogP: -1.63 Num_rotatable_bonds: 14
MolWt: 1119.26 Num_heavy_atoms: 78
TPSA: 388.04 NumAromaticRings: 0

Unique Aglycone
AD57288
Formula: C36H58O8

Smiles:
CC(=O)OC1C(OC(=O)C(C)C)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: 0.89
AlogP: 4.8 Num_rotatable_bonds: 5
MolWt: 618.85 Num_heavy_atoms: 44
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00892

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