Glycoside
GD141593
Name:
Tdp-3-Keto-4,6-Dideoxy-D-GlucoseFormula:
C16H24O15N2P2Smiles:
Cc1cn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C)CC(=O)C3O)C(O)C2O)c(=O)nc1OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)CC(=O)C1O.Cc1c[nH]c(=O)nc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 546.32 | Num_heavy_atoms: | 35 |
| TPSA: | 253.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD08955
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD57029
Formula: C7H14O10P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)CC(=O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.13 | Num_heavy_atoms: | 19 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
