Glycoside
...
GD028622

Name:
None

Formula:
C27H34O11N2

Smiles:
CCCCCc1nnc(-c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2)o1

Aglycone:
CCCCCc1nnc(-c2ccc(O)cc2)o1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.56
AlogP: 2.93 Num_rotatable_bonds: 12
MolWt: 562.57 Num_heavy_atoms: 40
TPSA: 162.58 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
AD18681
Formula: C13H16O2N2

Smiles:
CCCCCc1nnc(-c2ccc(O)cc2)o1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.38
AlogP: 3.17 Num_rotatable_bonds: 5
MolWt: 232.28 Num_heavy_atoms: 17
TPSA: 59.15 NumAromaticRings: 2

Sugarmoiety
SD00012

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