Glycoside
GD019635
Name:
NoneFormula:
C14H16O3N3SISmiles:
C=CCSc1ncnc2c1c(I)cn2[C@@H]1O[C@H](C)[C@H](O)[C@H]1OAglycone:
C=CCSc1ncnc2c1C(I)=C[N]2Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 433.27 | Num_heavy_atoms: | 22 |
| TPSA: | 80.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD13680
Formula: C9H7N3SI
Smiles:
C=CCSc1ncnc2c1C(I)=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.15 | Num_heavy_atoms: | 14 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
