Glycoside
GD027499
Name:
NoneFormula:
C25H29O15N7P2Smiles:
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@@H]3O[C@H](n4c(-c5ccco5)nc5c(N)ncnc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c1Aglycone:
COP(=O)([O-])OP(=O)(O)OC.NC(=O)c1ccc[nH+]c1.Nc1ncnc2c1N=C(c1ccco1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 12 |
| MolWt: | 729.49 | Num_heavy_atoms: | 49 |
| TPSA: | 334.23 | NumAromaticRings: | 4 |
Unique Aglycone
AD00068
Formula: C2H7O7P2
Smiles:
COP(=O)([O-])OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 205.02 | Num_heavy_atoms: | 11 |
| TPSA: | 105.12 | NumAromaticRings: | 0 |
AD00069
Formula: C6H7ON2
Smiles:
NC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.13 | Num_heavy_atoms: | 9 |
| TPSA: | 57.23 | NumAromaticRings: | 1 |
AD18073
Formula: C9H6ON5
Smiles:
Nc1ncnc2c1N=C(c1ccco1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.18 | Num_heavy_atoms: | 15 |
| TPSA: | 91.4 | NumAromaticRings: | 2 |
