Glycoside
GD118580
Name:
8-methoxy-11a-methyl-7-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-oneFormula:
C24H32O8Smiles:
COc1cc2c(cc1OC1OC(O)C(O)C(O)C1O)CCC1C2CCC2(C)C(=O)CCC12Aglycone:
COc1cc2c(cc1O)CCC1C2CCC2(C)C(=O)CCC12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.51 | Num_heavy_atoms: | 32 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD47432
Formula: C19H24O3
Smiles:
COc1cc2c(cc1O)CCC1C2CCC2(C)C(=O)CCC12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.4 | Num_heavy_atoms: | 22 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
