Glycoside
GD009390
Name:
NoneFormula:
C15H21O4N3S2Smiles:
CSc1nc(SC)c2c(C)cn(C3OC(C)C(O)C(O)C3O)c2n1Aglycone:
CSc1nc2c(c(SC)n1)C(C)=C[N]2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 371.48 | Num_heavy_atoms: | 24 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD07363
Formula: C9H10N3S2
Smiles:
CSc1nc2c(c(SC)n1)C(C)=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.33 | Num_heavy_atoms: | 14 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
