Glycoside
GD035280
Name:
NoneFormula:
C35H34O16N5PSmiles:
COc1cc(C2Oc3cc([C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O)ccc3OC2COP(=O)(O)O[C@@H]2[C@H](CO)O[C@H](n3cnc4c(N)ncnc43)[C@H]2O)ccc1OAglycone:
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2COP(=O)(O)O)ccc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 811.65 | Num_heavy_atoms: | 57 |
| TPSA: | 309.98 | NumAromaticRings: | 5 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03215
Formula: C25H23O13P
Smiles:
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2COP(=O)(O)O)ccc1O| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.42 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 3 |
