Glycoside
GD110102
Name:
NoneFormula:
C25H17O8N3Cl2Smiles:
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)nn1Aglycone:
COc1ccc(N)nn1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(Cl)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.31 | Num_heavy_atoms: | 36 |
| TPSA: | 154.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD30697
Formula: C5H7ON3
Smiles:
COc1ccc(N)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 61.03 | NumAromaticRings: | 1 |
AD40392
Formula: C8H5OCl
Smiles:
O=Cc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.57 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
