Glycoside
...
GD015815

Name:
None

Formula:
C27H36O10N5P

Smiles:
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@@H]1O[C@](C#N)(n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1OC(=O)C(C)C)Oc1ccccc1

Aglycone:
CC(C)C(=O)O.COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1.Nc1cc[nH]c(=O)n1

Sugarmoiety:
CC1(O)C(O)C(O)OC1(O)C#N

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 4 FractionCSP3: 0.52
AlogP: 1.85 Num_rotatable_bonds: 12
MolWt: 621.58 Num_heavy_atoms: 43
TPSA: 214.32 NumAromaticRings: 2

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
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
SD01196

CC1(O)C(O)C(O)OC1(O)C#N