Glycoside
GD144497
Name:
2-hydroxy-1,1-dimethyl-7-(propan-2-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-oneFormula:
C25H36O8Smiles:
CC(C)c1cc2c(cc1OC1OC(CO)C(O)C(O)C1O)C1CCC(O)C(C)(C)C1CC2=OAglycone:
CC(C)c1cc2c(cc1O)C1CCC(O)C(C)(C)C1CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.56 | Num_heavy_atoms: | 33 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD58071
Formula: C19H26O3
Smiles:
CC(C)c1cc2c(cc1O)C1CCC(O)C(C)(C)C1CC2=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.41 | Num_heavy_atoms: | 22 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
