Glycoside
GD004481
Name:
NoneFormula:
C23H20O5N4SSmiles:
Nc1ncnc2c1c(-c1cccc3c1Oc1ccccc1S3)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1cccc3c1Oc1ccccc1S3)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.5 | Num_heavy_atoms: | 33 |
| TPSA: | 135.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD03907
Formula: C18H11ON4S
Smiles:
Nc1ncnc2c1C(c1cccc3c1Oc1ccccc1S3)=C[N]2| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 331.38 | Num_heavy_atoms: | 24 |
| TPSA: | 75.13 | NumAromaticRings: | 3 |
