Glycoside
GD001244
Name:
4-{3a,8-dihydroxy-7-[(3-hydroxy-4-methoxyoxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H42O8Smiles:
CO[C@@H]1CCO[C@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)C[C@H]2O)[C@H]1OAglycone:
CC12CC(O)C(O)C=C1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CCOC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.65 | Num_heavy_atoms: | 37 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD01284
Formula: C23H32O5
Smiles:
CC12CC(O)C(O)C=C1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
