Glycoside

GD028857
Name:
NoneFormula:
C24H33O10N3FPSmiles:
C[C@H](NP(=O)(OC[C@]1(F)O[C@H](n2ccc(=O)[nH]c2=O)[C@@](C)(O)[C@H]1O)Oc1ccccc1)C(=O)OCC(C)(C)CAglycone:
COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc1ccccc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC1(O)C(O)OC(O)(F)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.54 |
AlogP: | 1.61 | Num_rotatable_bonds: | 10 |
MolWt: | 573.51 | Num_heavy_atoms: | 39 |
TPSA: | 178.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
MolWt: | 112.09 | Num_heavy_atoms: | 8 |
TPSA: | 65.72 | NumAromaticRings: | 1 |
AD06755
Formula: C15H24O5NP
Smiles:
COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc1ccccc1HBA: | 6 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.53 |
AlogP: | 3.39 | Num_rotatable_bonds: | 7 |
MolWt: | 329.33 | Num_heavy_atoms: | 22 |
TPSA: | 73.86 | NumAromaticRings: | 1 |