Glycoside
...
GD148516

Name:
6-{[8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(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}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C41H64O13

Smiles:
CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 8 FractionCSP3: 0.85
AlogP: 2.46 Num_rotatable_bonds: 7
MolWt: 764.95 Num_heavy_atoms: 54
TPSA: 223.67 NumAromaticRings: 0

Unique Aglycone
AD13429
Formula: C35H56O7

Smiles:
CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.86
AlogP: 4.54 Num_rotatable_bonds: 4
MolWt: 588.83 Num_heavy_atoms: 42
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00030

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