Glycoside
...
GD141715

Name:
3-(4-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-3-(2-hydroxy-6-methyl-5-methylideneheptan-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid

Formula:
C38H62O9

Smiles:
C=C(CCC(C)(O)C1CCC2(C)C1C(OC1OCC(O)C(O)C1OC(C)=O)CC1C(C)(CCC(=O)O)C(C(=C)C)CCC12C)C(C)C

Aglycone:
C=C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C(C)(CCC(=O)O)C(C(=C)C)CCC12C)C(C)C

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.84
AlogP: 6.04 Num_rotatable_bonds: 12
MolWt: 662.9 Num_heavy_atoms: 47
TPSA: 142.75 NumAromaticRings: 0

Unique Aglycone
AD48046
Formula: C31H52O4

Smiles:
C=C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C(C)(CCC(=O)O)C(C(=C)C)CCC12C)C(C)C
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.84
AlogP: 7.01 Num_rotatable_bonds: 9
MolWt: 488.75 Num_heavy_atoms: 35
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00514

CC(=O)OC1C(O)OCC(O)C1O