Glycoside
GD021701
Name:
5-hydroxy-7-(2-hydroxypropyl)-2,4a-dimethyl-9-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,4a,9,10,10a-hexahydrophenanthrene-1-carboxylic acidFormula:
C26H34O11Smiles:
CC1=C(C(=O)O)[C@@H]2CC(=O)c3cc(CC(C)O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(O)c3[C@@]2(C)CC1Aglycone:
CC1=C(C(=O)O)C2CC(=O)c3cc(CC(C)O)c(O)c(O)c3C2(C)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 194.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD14788
Formula: C20H24O6
Smiles:
CC1=C(C(=O)O)C2CC(=O)c3cc(CC(C)O)c(O)c(O)c3C2(C)CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 115.06 | NumAromaticRings: | 1 |
