Glycoside
GD017810
Name:
NoneFormula:
C40H42O15N8P2Smiles:
COc1cccc(C(=O)NC2C(O)[C@H](COP(=O)([O-])OP(=O)(O)OC[C@@H]3O[C@H]([n+]4ccc(C(N)=O)cc4)C(O)C3O)O[C@H]2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1Aglycone:
COc1cccc(C(=O)NC2C(O)C(COP(=O)([O-])OP(=O)(O)OC)OC2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1.NC(=O)c1cc[nH+]cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 17 |
| MolWt: | 936.76 | Num_heavy_atoms: | 65 |
| TPSA: | 325.2 | NumAromaticRings: | 6 |
Unique Aglycone
AD09945
Formula: C6H7ON2
Smiles:
NC(=O)c1cc[nH+]cc1| 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 |
AD12667
Formula: C30H31O11N6P2
Smiles:
COc1cccc(C(=O)NC2C(O)C(COP(=O)([O-])OP(=O)(O)OC)OC2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1| HBA: | 17 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 13 |
| MolWt: | 713.56 | Num_heavy_atoms: | 49 |
| TPSA: | 228.54 | NumAromaticRings: | 5 |
