Glycoside

GD116585
Name:
7-[(6-hydroxy-2,5,5,8a-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-2H-chromen-2-oneFormula:
C30H40O10Smiles:
CC1=CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1Aglycone:
CC1=CC(O)C2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.63 |
AlogP: | 1.74 | Num_rotatable_bonds: | 6 |
MolWt: | 560.64 | Num_heavy_atoms: | 40 |
TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD46325
Formula: C24H30O5
Smiles:
CC1=CC(O)C2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1HBA: | 5 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.54 |
AlogP: | 3.91 | Num_rotatable_bonds: | 3 |
MolWt: | 398.5 | Num_heavy_atoms: | 29 |
TPSA: | 79.9 | NumAromaticRings: | 2 |