Glycoside
GD004806
Name:
NoneFormula:
C30H38O12N3PSmiles:
C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO[P+]([O-])(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CO[P+]([O-])(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC21C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 663.62 | Num_heavy_atoms: | 46 |
| TPSA: | 243.79 | 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 |
AD04153
Formula: C22H29O8P
Smiles:
CO[P+]([O-])(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC21C| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.44 | Num_heavy_atoms: | 31 |
| TPSA: | 133.19 | NumAromaticRings: | 0 |
