Glycoside
GD112387
Name:
NoneFormula:
C27H19O8NCl2Smiles:
COc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)OAglycone:
COc1ccccc1N.O=Cc1ccccc1Cl.O=Cc1ccccc1ClSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 532.33 | Num_heavy_atoms: | 36 |
| TPSA: | 128.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD13961
Formula: C7H9ON
Smiles:
COc1ccccc1N| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.15 | Num_heavy_atoms: | 9 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
AD25413
Formula: C8H5OCl
Smiles:
O=Cc1ccccc1Cl| 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 |
