Glycoside
GD032385
Name:
NoneFormula:
C28H35O9N6PSmiles:
C[C@H](NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@H]1O)Oc1ccccc1)C(=O)OC(C)(C)CAglycone:
C1=Nc2c(ncnc2NCc2ccco2)[N]1.COP(=O)(NC(C)C(=O)OC(C)(C)C)Oc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 630.6 | Num_heavy_atoms: | 44 |
| TPSA: | 192.32 | NumAromaticRings: | 4 |
Unique Aglycone
AD00372
Formula: C10H8ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccco2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.21 | Num_heavy_atoms: | 16 |
| TPSA: | 77.41 | NumAromaticRings: | 2 |
AD12125
Formula: C14H22O5NP
Smiles:
COP(=O)(NC(C)C(=O)OC(C)(C)C)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 315.31 | Num_heavy_atoms: | 21 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
