Glycoside
GD034450
Name:
NoneFormula:
C31H33O10N3FPSmiles:
CCc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OCc2ccccc2)Oc2cccc3ccccc23)[C@H](O)[C@H]1OAglycone:
CCc1[nH]c(=O)[nH]c(=O)c1F.COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 657.59 | Num_heavy_atoms: | 46 |
| TPSA: | 178.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD01728
Formula: C21H22O5NP
Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 399.38 | Num_heavy_atoms: | 28 |
| TPSA: | 73.86 | NumAromaticRings: | 3 |
AD08579
Formula: C6H7O2N2F
Smiles:
CCc1[nH]c(=O)[nH]c(=O)c1F| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.13 | Num_heavy_atoms: | 11 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
