Glycoside
GD019478
Name:
NoneFormula:
C18H21O4N5SSmiles:
Cc1sc2ccccc2c1CNC[C@@H]1O[C@H](n2cnc(C(N)=O)n2)[C@H](O)[C@H]1OAglycone:
CNCc1c(C)sc2ccccc12.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.46 | Num_heavy_atoms: | 28 |
| TPSA: | 135.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD13594
Formula: C11H13NS
Smiles:
CNCc1c(C)sc2ccccc12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.3 | Num_heavy_atoms: | 13 |
| TPSA: | 12.03 | NumAromaticRings: | 2 |
