Glycoside
...
GD109533

Name:
None

Formula:
C31H34O7N6P

Smiles:
COC1(OC)[C@@H](O)[C@H](COP([NH3+])O)O[C@]1(n1cnc2c(=O)[nH]c(N)nc21)C(c1ccccc1)(c1ccccc1)c1ccccc1

Aglycone:
COP([NH3+])O.Nc1nc2c(c(=O)[nH]1)N=C[N]2.c1ccc(C(c2ccccc2)c2ccccc2)cc1

Sugarmoiety:
COC1(OC)C(O)C(O)OC1(O)O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 8 FractionCSP3: 0.26
AlogP: 1.62 Num_rotatable_bonds: 10
MolWt: 633.62 Num_heavy_atoms: 45
TPSA: 194.61 NumAromaticRings: 5

Unique Aglycone
AD00207
Formula: C5H4ON5

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.74 Num_rotatable_bonds: 0
MolWt: 150.12 Num_heavy_atoms: 11
TPSA: 98.23 NumAromaticRings: 1
AD00424
Formula: C19H16

Smiles:
c1ccc(C(c2ccccc2)c2ccccc2)cc1
HBA: 0 RingCount: 3
HBD: 0 FractionCSP3: 0.05
AlogP: 4.87 Num_rotatable_bonds: 3
MolWt: 244.34 Num_heavy_atoms: 19
TPSA: 0.0 NumAromaticRings: 3
AD44548
Formula: CH7O2NP

Smiles:
COP([NH3+])O
HBA: 3 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.91 Num_rotatable_bonds: 1
MolWt: 96.05 Num_heavy_atoms: 5
TPSA: 57.1 NumAromaticRings: 0

Sugarmoiety
SD04231

COC1(OC)C(O)C(O)OC1(O)O