Glycoside
GD101387
Name:
NoneFormula:
C20H23O6N5SSmiles:
CC(=O)OCc1cccc(C)c1Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(=O)OCc1cccc(C)c1Nc1[nH]c(=S)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.5 | Num_heavy_atoms: | 32 |
| TPSA: | 154.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD42916
Formula: C15H14O2N5S
Smiles:
CC(=O)OCc1cccc(C)c1Nc1[nH]c(=S)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.38 | Num_heavy_atoms: | 23 |
| TPSA: | 93.47 | NumAromaticRings: | 2 |
