Glycoside
GD009503
Name:
1-acetyl-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[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]phenanthrene-7,10-dioneFormula:
C30H44O10Smiles:
CC(=O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12CAglycone:
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: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.67 | Num_heavy_atoms: | 40 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD07446
Formula: C24H34O5
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: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 402.53 | Num_heavy_atoms: | 29 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
