Glycoside
GD003851
Name:
NoneFormula:
C27H38O10N7PSmiles:
CCOC(=O)CCc1ccccc1O[P@@](=O)(N[C@H](C)C(=O)OCC)OC[C@@H]1O[C@H](n2cnc3c(N)nc(N)nc32)[C@@](C)(O)[C@H]1OAglycone:
CCOC(=O)CCc1ccccc1OP(=O)(NC(C)C(=O)OCC)OC.Nc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 14 |
| MolWt: | 651.61 | Num_heavy_atoms: | 45 |
| TPSA: | 245.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD01628
Formula: C5H5N6
Smiles:
Nc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.14 | Num_heavy_atoms: | 11 |
| TPSA: | 104.28 | NumAromaticRings: | 1 |
AD03421
Formula: C17H26O7NP
Smiles:
CCOC(=O)CCc1ccccc1OP(=O)(NC(C)C(=O)OCC)OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 387.37 | Num_heavy_atoms: | 26 |
| TPSA: | 100.16 | NumAromaticRings: | 1 |
