Glycoside
GD131357
Name:
1-acetyl-2,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C30H46O10Smiles:
CC(=O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12CAglycone:
CC(=O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 566.69 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD53221
Formula: C24H36O5
Smiles:
CC(=O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.55 | Num_heavy_atoms: | 29 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
