Glycoside
GD114363
Name:
9-methyl-3,6-dimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-4-yl 2-hydroxy-3-(4-hydroxyphenyl)propanoateFormula:
C30H38O12Smiles:
C=C1CC(OC(=O)C(O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C1CC(OC1OC(CO)C(O)C(O)C1O)C2CAglycone:
C=C1CC(OC(=O)C(O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C1CC(O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 590.62 | Num_heavy_atoms: | 42 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD45013
Formula: C24H28O7
Smiles:
C=C1CC(OC(=O)C(O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C1CC(O)C2C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.48 | Num_heavy_atoms: | 31 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
