Glycoside
GD016247
Name:
NoneFormula:
C23H21O6N8ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NNC(=O)c4cc(-c5ccccc5)on4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(NNc1nc(Cl)nc2c1N=C[N]2)c1cc(-c2ccccc2)on1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.91 | Num_heavy_atoms: | 37 |
| TPSA: | 189.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD11724
Formula: C16H9O2N7Cl
Smiles:
O=C(NNc1nc(Cl)nc2c1N=C[N]2)c1cc(-c2ccccc2)on1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.74 | Num_heavy_atoms: | 25 |
| TPSA: | 119.4 | NumAromaticRings: | 3 |
