Glycoside
GD148888
Name:
2-{2-hydroxy-2-[7-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl]ethoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H44O9Smiles:
CC1(C(O)COC2OC(CO)C(O)C(O)C2O)CCC2C(=CCC3C(C)(CO)C(O)CCC23C)C1Aglycone:
CC1(C(O)CO)CCC2C(=CCC3C(C)(CO)C(O)CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.63 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD59560
Formula: C20H34O4
Smiles:
CC1(C(O)CO)CCC2C(=CCC3C(C)(CO)C(O)CCC23C)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.49 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
