Glycoside
GD108803
Name:
NoneFormula:
C30H44O11N3PSmiles:
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO[PH](O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 653.67 | Num_heavy_atoms: | 45 |
| TPSA: | 223.89 | 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 |
AD44491
Formula: C22H35O7P
Smiles:
CO[PH](O)(O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.49 | Num_heavy_atoms: | 30 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
