Glycoside
...
GD014900

Name:
None

Formula:
C23H29O10N4P

Smiles:
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@@H]1OC(n2c(C#N)cc(=O)[nH]c2=O)[C@@](C)(O)[C@H]1O)Oc1ccccc1

Aglycone:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1.N#Cc1cc(=O)[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.48
AlogP: 0.55 Num_rotatable_bonds: 10
MolWt: 552.48 Num_heavy_atoms: 38
TPSA: 202.2 NumAromaticRings: 2

Unique Aglycone
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
AD05744
Formula: C5H3O2N3

Smiles:
N#Cc1cc(=O)[nH]c(=O)[nH]1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -1.07 Num_rotatable_bonds: 0
MolWt: 137.1 Num_heavy_atoms: 10
TPSA: 89.51 NumAromaticRings: 1

Sugarmoiety
SD00027

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