Glycoside
GD111773
Name:
2-{3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl}acetic acidFormula:
C32H48O9Smiles:
CO[C@H]1C[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](CC(=O)O)C[C@]43O)C2)O[C@@H](C)[C@@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(CC(=O)O)CC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.73 | Num_heavy_atoms: | 41 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD44741
Formula: C25H36O6
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(CC(=O)O)CC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
