Glycoside
GD134118
Name:
1-acetyl-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-3,10-dioneFormula:
C28H40O9Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(=CCC4C3C(=O)CC3(C)C4C(=O)CC3(O)C(C)=O)C2)C1OAglycone:
CC(=O)C1(O)CC(=O)C2C3CC=C4CC(O)CCC4(C)C3C(=O)CC21CSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 520.62 | Num_heavy_atoms: | 37 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD54261
Formula: C21H28O5
Smiles:
CC(=O)C1(O)CC(=O)C2C3CC=C4CC(O)CCC4(C)C3C(=O)CC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
