Glycoside
GD121997
Name:
[3,4,5-tris(acetyloxy)-6-[6-(dimethylamino)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetateFormula:
C19H26O11N4Smiles:
CC(=O)OCC1OC(n2nc(N(C)C)c(O)nc2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CN(C)c1n[nH]c(=O)nc1O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.43 | Num_heavy_atoms: | 34 |
| TPSA: | 185.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD49133
Formula: C5H8O2N4
Smiles:
CN(C)c1n[nH]c(=O)nc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.15 | Num_heavy_atoms: | 11 |
| TPSA: | 82.11 | NumAromaticRings: | 1 |
