Glycoside
GD021241
Name:
NoneFormula:
C27H24O6N2Smiles:
O=C(NC[C@@H]1OC[C@](O)(CN2C(=O)c3ccccc3C2=O)[C@H]1O)c1ccc(-c2ccccc2)cc1Aglycone:
CN1C(=O)c2ccccc2C1=O.CNC(=O)c1ccc(-c2ccccc2)cc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.5 | Num_heavy_atoms: | 35 |
| TPSA: | 116.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD04519
Formula: C9H7O2N
Smiles:
CN1C(=O)c2ccccc2C1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 37.38 | NumAromaticRings: | 1 |
AD14552
Formula: C14H13ON
Smiles:
CNC(=O)c1ccc(-c2ccccc2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 211.26 | Num_heavy_atoms: | 16 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
