Glycoside
GD013303
Name:
NoneFormula:
C39H41O15N8P2Smiles:
COc1cccc(C(=O)N[C@@H]2[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H]([n+]4ccc(C(N)=O)cc4)[C@H](O)[C@H]3O)O[C@H]2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1Aglycone:
COc1cccc(C(=O)NC2C(O)C(COP(=O)(O)OP(=O)(O)O)OC2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1.NC(=O)c1cc[nH+]cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.28 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 16 |
| MolWt: | 923.75 | Num_heavy_atoms: | 64 |
| TPSA: | 322.37 | NumAromaticRings: | 6 |
Unique Aglycone
AD09944
Formula: C29H30O11N6P2
Smiles:
COc1cccc(C(=O)NC2C(O)C(COP(=O)(O)OP(=O)(O)O)OC2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1| HBA: | 17 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 12 |
| MolWt: | 700.54 | Num_heavy_atoms: | 48 |
| TPSA: | 236.71 | NumAromaticRings: | 5 |
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 |
