Glycoside
...
GD101582

Name:
None

Formula:
C21H26O10N4

Smiles:
COc1nc(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cn2ccnc12

Aglycone:
COC(C)=O.COc1nc(N)cn2ccnc12

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.52
AlogP: 0.23 Num_rotatable_bonds: 8
MolWt: 494.46 Num_heavy_atoms: 35
TPSA: 165.88 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD28465
Formula: C7H8ON4

Smiles:
COc1nc(N)cn2ccnc12
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.14
AlogP: 0.32 Num_rotatable_bonds: 1
MolWt: 164.17 Num_heavy_atoms: 12
TPSA: 65.44 NumAromaticRings: 2

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O