Glycoside
GD016979
Name:
NoneFormula:
C37H39O12N7Smiles:
[N-]=[N+]=NCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)nn3)[C@H]2O)[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=OAglycone:
C1=C(c2ccc(Oc3ccccc3)cc2)N=N[N]1.O=C1NC(=O)c2ccccc21.[N-]=[N+]=NCCCOSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 14 |
| MolWt: | 773.76 | Num_heavy_atoms: | 56 |
| TPSA: | 264.15 | NumAromaticRings: | 4 |
Unique Aglycone
AD03368
Formula: C8H5O2N
Smiles:
O=C1NC(=O)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 147.13 | Num_heavy_atoms: | 11 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
AD09347
Formula: C14H10ON3
Smiles:
C1=C(c2ccc(Oc3ccccc3)cc2)N=N[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.25 | Num_heavy_atoms: | 18 |
| TPSA: | 48.05 | NumAromaticRings: | 2 |
AD09348
Formula: C3H7ON3
Smiles:
[N-]=[N+]=NCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 101.11 | Num_heavy_atoms: | 7 |
| TPSA: | 68.99 | NumAromaticRings: | 0 |
