Glycoside
...
GD016199

Name:
None

Formula:
C29H41O10N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](ON=C(C)CCN2CCCCc3nc(C)c(C)cc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(CCN1CCCCc2nc(C)c(C)cc21)=NO.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: 0.66
AlogP: 2.71 Num_rotatable_bonds: 10
MolWt: 591.66 Num_heavy_atoms: 42
TPSA: 152.15 NumAromaticRings: 1

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
AD11695
Formula: C15H23ON3

Smiles:
CC(CCN1CCCCc2nc(C)c(C)cc21)=NO
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.6
AlogP: 3.08 Num_rotatable_bonds: 3
MolWt: 261.37 Num_heavy_atoms: 19
TPSA: 48.72 NumAromaticRings: 1

Sugarmoiety
SD00012

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