Glycoside
GD122062
Name:
1-acetyl-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C29H40O10Smiles:
CC(=O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12CAglycone:
CC(=O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.63 | Num_heavy_atoms: | 39 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD49168
Formula: C23H30O5
Smiles:
CC(=O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.49 | Num_heavy_atoms: | 28 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
