Glycoside
GD104554
Name:
1-{9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethan-1-oneFormula:
C27H40O8Smiles:
C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H]12Aglycone:
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.61 | Num_heavy_atoms: | 35 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD43994
Formula: C21H30O3
Smiles:
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.47 | Num_heavy_atoms: | 24 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
