Glycoside
GD014983
Name:
NoneFormula:
C25H29O15N3P2Smiles:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n3cnc4c([N+](=O)[O-])cccc43)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC)C(=O)OC2.O=[N+]([O-])c1cccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 673.46 | Num_heavy_atoms: | 45 |
| TPSA: | 259.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD00057
Formula: C14H20O10P2
Smiles:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC)C(=O)OC2| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 410.25 | Num_heavy_atoms: | 26 |
| TPSA: | 148.82 | NumAromaticRings: | 1 |
AD00777
Formula: C7H4O2N3
Smiles:
O=[N+]([O-])c1cccc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.13 | Num_heavy_atoms: | 12 |
| TPSA: | 69.6 | NumAromaticRings: | 1 |
