Glycoside
GD121259
Name:
Rehmaglutoside DFormula:
C23H31O11NSmiles:
CC1(O)CC(OC(=O)CCc2cc(=O)cc[nH]2)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)CC(OC(=O)CCc2cc(=O)cc[nH]2)C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 497.5 | Num_heavy_atoms: | 35 |
| TPSA: | 188.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD48796
Formula: C17H21O6N
Smiles:
CC1(O)CC(OC(=O)CCc2cc(=O)cc[nH]2)C2C=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.36 | Num_heavy_atoms: | 24 |
| TPSA: | 108.85 | NumAromaticRings: | 1 |
