Glycoside
GD020010
Name:
NoneFormula:
C31H32O8N2Smiles:
O=C(NCC(CNC(=O)c1ccc2ccccc2c1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccc2ccccc2c1Aglycone:
O=C(NCC(O)CNC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.6 | Num_heavy_atoms: | 41 |
| TPSA: | 157.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD13881
Formula: C25H22O3N2
Smiles:
O=C(NCC(O)CNC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.46 | Num_heavy_atoms: | 30 |
| TPSA: | 78.43 | NumAromaticRings: | 4 |
