Glycoside
GD007996
Name:
NoneFormula:
C15H15O5N3SSmiles:
O=c1[nH]cnc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1C(c1cccs1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 349.37 | Num_heavy_atoms: | 24 |
| TPSA: | 120.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD06443
Formula: C10H6ON3S
Smiles:
O=c1[nH]cnc2c1C(c1cccs1)=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.25 | Num_heavy_atoms: | 15 |
| TPSA: | 59.85 | NumAromaticRings: | 2 |
