Glycoside
GD108490
Name:
4-{7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2,3a-dihydroxy-9a-(hydroxymethyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H46O10Smiles:
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(CO)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@]43O)C2)[C@@H]1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CC(O)C2C1=CC(=O)OC1Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.69 | Num_heavy_atoms: | 40 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD44436
Formula: C23H34O6
Smiles:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CC(O)C2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
