Glycoside
...
GD036629

Name:
None

Formula:
C22H29O10N3FP

Smiles:
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@]1(F)O[C@H](n2ccc(=O)[nH]c2=O)[C@@](C)(O)[C@H]1O)Oc1ccccc1

Aglycone:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
CC1(O)C(O)OC(O)(F)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: 0.98 Num_rotatable_bonds: 10
MolWt: 545.46 Num_heavy_atoms: 37
TPSA: 178.41 NumAromaticRings: 2

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 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
AD04990
Formula: C13H20O5NP

Smiles:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.46
AlogP: 2.75 Num_rotatable_bonds: 7
MolWt: 301.28 Num_heavy_atoms: 20
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD02801

CC1(O)C(O)OC(O)(F)C1O