Glycoside
...
GD008145

Name:
None

Formula:
C22H29O10N6PS

Smiles:
CCOC(=O)[C@H](CCSC)NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)Oc1ccccc1

Aglycone:
CCOC(=O)C(CCSC)NP(=O)(OC)Oc1ccccc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
[N-]=[N+]=NC1(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: 1.27 Num_rotatable_bonds: 14
MolWt: 600.55 Num_heavy_atoms: 40
TPSA: 227.17 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
AD06544
Formula: C14H22O5NPS

Smiles:
CCOC(=O)C(CCSC)NP(=O)(OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.5
AlogP: 3.09 Num_rotatable_bonds: 10
MolWt: 347.37 Num_heavy_atoms: 22
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00111

[N-]=[N+]=NC1(O)OC(O)C(O)C1O