Glycoside
GD027691
Name:
NoneFormula:
C31H32O7N2Smiles:
O=C(NCC(CNC(=O)c1ccc2ccccc2c1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccc2ccccc2c1Aglycone:
O=C(NCCCNC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 544.6 | Num_heavy_atoms: | 40 |
| TPSA: | 148.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD18170
Formula: C25H22O2N2
Smiles:
O=C(NCCCNC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.46 | Num_heavy_atoms: | 29 |
| TPSA: | 58.2 | NumAromaticRings: | 4 |
