Glycoside
GD143541
Name:
aristolosideFormula:
C23H23O13NSmiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)cc2c1cc(N(O)O)c1c(C(=O)O)cc3c(c12)OCO3Aglycone:
COc1cc(O)cc2c1cc(N(O)O)c1c(C(=O)O)cc3c(c12)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 521.43 | Num_heavy_atoms: | 37 |
| TPSA: | 208.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD57729
Formula: C17H13O8N
Smiles:
COc1cc(O)cc2c1cc(N(O)O)c1c(C(=O)O)cc3c(c12)OCO3| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.29 | Num_heavy_atoms: | 26 |
| TPSA: | 128.92 | NumAromaticRings: | 3 |
