Glycoside
GD028214
Name:
4-[3a-hydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C29H44O10Smiles:
C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]43CO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.66 | Num_heavy_atoms: | 39 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD01385
Formula: C23H34O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
