Glycoside
GD130772
Name:
6-[(7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C23H21O8N2ClSmiles:
CN1C(=O)C(OC2OC(C(=O)O)C(O)C(O)C2O)N=C(c2ccccc2)c2cc(Cl)ccc21Aglycone:
CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.87 | Num_heavy_atoms: | 33 |
| TPSA: | 149.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD52989
Formula: C17H13O2N2Cl
Smiles:
CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.75 | Num_heavy_atoms: | 21 |
| TPSA: | 52.9 | NumAromaticRings: | 2 |
