Glycoside
GD084082
Name:
NoneFormula:
C18H21O6N3SSmiles:
O=C(Cc1ncccn1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=C(Cc1ncccn1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 407.45 | Num_heavy_atoms: | 28 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD37525
Formula: C12H11ON3S
Smiles:
O=C(Cc1ncccn1)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 245.31 | Num_heavy_atoms: | 17 |
| TPSA: | 54.88 | NumAromaticRings: | 2 |
