Glycoside
GD099945
Name:
NoneFormula:
C18H20O9N4SSmiles:
COC(=O)[C@@H]1O[C@H](n2cnc3c(=S)[nH]cnc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
S=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.44 | Num_heavy_atoms: | 32 |
| TPSA: | 160.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD25255
Formula: C5H3N4S
Smiles:
S=c1[nH]cnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.17 | Num_heavy_atoms: | 10 |
| TPSA: | 55.14 | NumAromaticRings: | 1 |
