Glycoside
GD109093
Name:
4-{3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a-(hydroxymethyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H46O9Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 550.69 | Num_heavy_atoms: | 39 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD07682
Formula: C23H34O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
