Glycoside
GD017401
Name:
NoneFormula:
C20H21O6N3Smiles:
O=c1c2ccccc2nc(-c2ccccc2)n1NCC1(O)OCC(O)C(O)C1OAglycone:
CNn1c(-c2ccccc2)nc2ccccc2c1=OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.4 | Num_heavy_atoms: | 29 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD12417
Formula: C15H13ON3
Smiles:
CNn1c(-c2ccccc2)nc2ccccc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.29 | Num_heavy_atoms: | 19 |
| TPSA: | 46.92 | NumAromaticRings: | 3 |
