Glycoside
...
GD022317

Name:
None

Formula:
C31H40O9N5P

Smiles:
COc1nc(N)nc2c1ccn2[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)[C@H](O)[C@]1(C)O

Aglycone:
COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc1cccc2ccccc12.COc1nc(N)nc2c1C=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.45
AlogP: 3.96 Num_rotatable_bonds: 11
MolWt: 657.66 Num_heavy_atoms: 46
TPSA: 189.51 NumAromaticRings: 4

Unique Aglycone
AD02286
Formula: C7H7ON4

Smiles:
COc1nc(N)nc2c1C=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.14
AlogP: 0.29 Num_rotatable_bonds: 1
MolWt: 163.16 Num_heavy_atoms: 12
TPSA: 75.13 NumAromaticRings: 1
AD03412
Formula: C19H26O5NP

Smiles:
COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc1cccc2ccccc12
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.42
AlogP: 4.54 Num_rotatable_bonds: 7
MolWt: 379.39 Num_heavy_atoms: 26
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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