Glycoside
GD007097
Name:
NoneFormula:
C30H42O11N3PSmiles:
C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@H](C(=O)COP(=O)(O)OC[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[C@H]3O)CC[C@H]12Aglycone:
COP(=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: | 6 | FractionCSP3: | 0.73 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 651.65 | Num_heavy_atoms: | 45 |
| TPSA: | 220.73 | 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 |
AD05800
Formula: C22H33O7P
Smiles:
COP(=O)(O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.47 | Num_heavy_atoms: | 30 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
