Glycoside
GD010406
Name:
NoneFormula:
C17H17O8NSmiles:
O=c1c(-c2ccc3c(c2)OCO3)c(O)ccn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]ccc(O)c1-c1ccc2c(c1)OCO2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.32 | Num_heavy_atoms: | 26 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD08039
Formula: C12H9O4N
Smiles:
O=c1[nH]ccc(O)c1-c1ccc2c(c1)OCO2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 231.21 | Num_heavy_atoms: | 17 |
| TPSA: | 71.55 | NumAromaticRings: | 2 |
