Glycoside
...
GD025081

Name:
None

Formula:
C31H37O12N6P

Smiles:
CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(OC)nc(ONC(=O)OCc4ccccc4)nc32)[C@@](C)(O)[C@H]1O)Oc1ccccc1

Aglycone:
CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1.COc1nc(ONC(=O)OCc2ccccc2)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 4 FractionCSP3: 0.39
AlogP: 2.81 Num_rotatable_bonds: 15
MolWt: 716.64 Num_heavy_atoms: 50
TPSA: 223.94 NumAromaticRings: 4

Unique Aglycone
AD00514
Formula: C12H18O5NP

Smiles:
CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.42
AlogP: 2.36 Num_rotatable_bonds: 7
MolWt: 287.25 Num_heavy_atoms: 19
TPSA: 73.86 NumAromaticRings: 1
AD16673
Formula: C14H12O4N5

Smiles:
COc1nc(ONC(=O)OCc2ccccc2)nc2c1N=C[N]2
HBA: 9 RingCount: 3
HBD: 1 FractionCSP3: 0.14
AlogP: 1.61 Num_rotatable_bonds: 5
MolWt: 314.28 Num_heavy_atoms: 23
TPSA: 109.03 NumAromaticRings: 2

Sugarmoiety
SD00027

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