Glycoside
GD016030
Name:
NoneFormula:
C30H40O15N8P2Smiles:
COc1ccc(CCNP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](OC)[C@H]2OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)C[C@H]2O)cc1OCAglycone:
COc1ccc(CCNP(=O)(O)OC)cc1OC.Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 17 |
| MolWt: | 814.64 | Num_heavy_atoms: | 55 |
| TPSA: | 305.18 | NumAromaticRings: | 4 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD05049
Formula: C10H14O6N5P
Smiles:
Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 331.23 | Num_heavy_atoms: | 22 |
| TPSA: | 165.84 | NumAromaticRings: | 2 |
AD11585
Formula: C11H18O5NP
Smiles:
COc1ccc(CCNP(=O)(O)OC)cc1OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 275.24 | Num_heavy_atoms: | 18 |
| TPSA: | 77.02 | NumAromaticRings: | 1 |
