Glycoside
GD040374
Name:
bdagdpFormula:
C18H29O13N7P2Smiles:
CCC(=O)NCCCCNC(=O)O[C@H]1[C@H](O)[C@H](n2cnc3c(=O)nc(N)[nH]c32)O[C@@H]1COP(=O)(O)OP(=O)(O)OAglycone:
CCC(=O)NCCCCNC(=O)O.COP(=O)(O)OP(=O)(O)O.Nc1nc(=O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 13 |
| MolWt: | 613.41 | Num_heavy_atoms: | 40 |
| TPSA: | 299.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD01192
Formula: C5H4ON5
Smiles:
Nc1nc(=O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD24745
Formula: C8H16O3N2
Smiles:
CCC(=O)NCCCCNC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 188.23 | Num_heavy_atoms: | 13 |
| TPSA: | 78.43 | NumAromaticRings: | 0 |
