Glycoside
GD031901
Name:
NoneFormula:
C21H32O8N3PSmiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OCCC34CC5CC(CC(C5)C3)C4)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OCCC12CC3CC(CC(C3)C1)C2.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 485.47 | Num_heavy_atoms: | 33 |
| TPSA: | 166.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD20514
Formula: C13H23O4P
Smiles:
COP(=O)(O)OCCC12CC3CC(CC(C3)C1)C2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.3 | Num_heavy_atoms: | 18 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
