Glycoside
GD018365
Name:
NoneFormula:
C30H41O12N3FPSmiles:
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CC[C@@](O)(C(=O)COP(=O)(O)OC[C@@H]4O[C@H](n5ccc(N)nc5=O)[C@H](O)[C@H]4O)[C@]3(C)C[C@H](O)[C@]12FAglycone:
COP(=O)(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 685.64 | Num_heavy_atoms: | 47 |
| TPSA: | 240.96 | 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 |
AD12969
Formula: C22H32O8FP
Smiles:
COP(=O)(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.46 | Num_heavy_atoms: | 32 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
