Glycoside
...
GD009955

Name:
None

Formula:
C23H31O7N5P

Smiles:
CC(C)O[C@@H]1[C@@H](n2c[n+](Cc3ccccc3)c3c(=O)[nH]c([NH-])nc32)O[C@@H](CO[PH](=O)[O-])[C@H]1OC(C)C

Aglycone:
CO[PH](=O)[O-].[NH-]c1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2

Sugarmoiety:
CC(C)OC1C(O)OC(O)C1OC(C)C

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 2 FractionCSP3: 0.52
AlogP: 2.0 Num_rotatable_bonds: 10
MolWt: 520.5 Num_heavy_atoms: 36
TPSA: 155.41 NumAromaticRings: 3

Unique Aglycone
AD02899
Formula: CH4O3P

Smiles:
CO[PH](=O)[O-]
HBA: 3 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: -0.62 Num_rotatable_bonds: 1
MolWt: 95.01 Num_heavy_atoms: 5
TPSA: 49.36 NumAromaticRings: 0
AD07746
Formula: C12H10ON5

Smiles:
[NH-]c1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.08
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 240.25 Num_heavy_atoms: 18
TPSA: 86.66 NumAromaticRings: 2

Sugarmoiety
SD00754

CC(C)OC1C(O)OC(O)C1OC(C)C