Glycoside
GD014044
Name:
NoneFormula:
C23H23O8N3Smiles:
O=C1Nc2ccc(C(=O)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc2C1=C1Nc2ccccc2C1=OAglycone:
CNC(=O)c1ccc2c(c1)C(=C1Nc3ccccc3C1=O)C(=O)N2Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.45 | Num_heavy_atoms: | 34 |
| TPSA: | 188.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD10398
Formula: C18H13O3N3
Smiles:
CNC(=O)c1ccc2c(c1)C(=C1Nc3ccccc3C1=O)C(=O)N2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 319.32 | Num_heavy_atoms: | 24 |
| TPSA: | 87.3 | NumAromaticRings: | 2 |
