Glycoside
...
GD129888

Name:
3-hydroxy-3-methyl-5-oxo-5-[(7',9',13'-trimethyl-16'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-5-yl)methoxy]pentanoic acid

Formula:
C39H60O13

Smiles:
CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC12CCC(COC(=O)CC(C)(O)CC(=O)O)CO2

Aglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(COC(=O)CC(C)(O)CC(=O)O)CO2

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 6 FractionCSP3: 0.9
AlogP: 2.68 Num_rotatable_bonds: 9
MolWt: 736.9 Num_heavy_atoms: 52
TPSA: 201.67 NumAromaticRings: 0

Unique Aglycone
AD50683
Formula: C33H50O8

Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(COC(=O)CC(C)(O)CC(=O)O)CO2
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.88
AlogP: 4.85 Num_rotatable_bonds: 6
MolWt: 574.76 Num_heavy_atoms: 41
TPSA: 122.52 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O