Glycoside
...
GD034425

Name:
None

Formula:
C24H32O8N5P

Smiles:
CC(C)OC(=O)[C@H](C)N[P@](=O)(Cc1ccccc1)OC[C@@H]1O[C@](C#N)(n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O

Aglycone:
COP(=O)(Cc1ccccc1)NC(C)C(=O)OC(C)C.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.5
AlogP: 0.85 Num_rotatable_bonds: 10
MolWt: 549.52 Num_heavy_atoms: 38
TPSA: 199.02 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
AD21889
Formula: C14H22O4NP

Smiles:
COP(=O)(Cc1ccccc1)NC(C)C(=O)OC(C)C
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.5
AlogP: 2.96 Num_rotatable_bonds: 7
MolWt: 299.31 Num_heavy_atoms: 20
TPSA: 64.63 NumAromaticRings: 1

Sugarmoiety
SD01196

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