Glycoside
GD128304
Name:
6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dioneFormula:
C9H13O7N3SSmiles:
OCC1OC(Sc2nnc(O)nc2O)C(O)C(O)C1OAglycone:
Oc1nnc(S)c(O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.28 | Num_heavy_atoms: | 20 |
| TPSA: | 169.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD51920
Formula: C3H3O2N3S
Smiles:
Oc1nnc(S)c(O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.14 | Num_heavy_atoms: | 9 |
| TPSA: | 79.13 | NumAromaticRings: | 1 |
