Glycoside
GD001760
Name:
NoneFormula:
C30H31O10N3FPSmiles:
Cc1c(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:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12.Cc1[nH]c(=O)[nH]c(=O)c1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 643.56 | Num_heavy_atoms: | 45 |
| 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 |
AD01729
Formula: C5H5O2N2F
Smiles:
Cc1[nH]c(=O)[nH]c(=O)c1F| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.1 | Num_heavy_atoms: | 10 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
