Glycoside
GD002221
Name:
NoneFormula:
C24H25O8N3Smiles:
O=C1Nc2ccccc2C1=C1Nc2ccccc2C1=NOCCOC1OC(CO)C(O)C(O)C1OAglycone:
O=C1Nc2ccccc2C1=C1Nc2ccccc2C1=NOCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 483.48 | Num_heavy_atoms: | 35 |
| TPSA: | 162.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD02145
Formula: C18H15O3N3
Smiles:
O=C1Nc2ccccc2C1=C1Nc2ccccc2C1=NOCCO| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.34 | Num_heavy_atoms: | 24 |
| TPSA: | 82.95 | NumAromaticRings: | 2 |
