Glycoside
...
GD003780

Name:
None

Formula:
C17H28O7N5P

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

Aglycone:
CO[PH](=O)[O-].C[N+]1=C[N]c2nc(N)[nH]c(=O)c21

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.71
AlogP: -0.62 Num_rotatable_bonds: 8
MolWt: 445.41 Num_heavy_atoms: 30
TPSA: 157.63 NumAromaticRings: 2

Unique Aglycone
AD02176
Formula: C6H7ON5

Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.17
AlogP: -1.1 Num_rotatable_bonds: 0
MolWt: 165.16 Num_heavy_atoms: 12
TPSA: 88.88 NumAromaticRings: 1
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

Sugarmoiety
SD00754

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