Glycoside
...
GD023224

Name:
None

Formula:
C27H30O9N4PCl

Smiles:
CCOC(=O)[C@H](NP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O)Oc1ccc(Cl)cc1)c1ccccc1

Aglycone:
CCOC(=O)C(NP(=O)(OC)Oc1ccc(Cl)cc1)c1ccccc1.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.35
AlogP: 2.59 Num_rotatable_bonds: 11
MolWt: 608.97 Num_heavy_atoms: 41
TPSA: 184.46 NumAromaticRings: 3

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
AD15642
Formula: C18H19O5NPCl

Smiles:
CCOC(=O)C(NP(=O)(OC)Oc1ccc(Cl)cc1)c1ccccc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.24
AlogP: 4.37 Num_rotatable_bonds: 8
MolWt: 383.77 Num_heavy_atoms: 25
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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