Glycoside
...
GD016080

Name:
None

Formula:
C30H43O10N3

Smiles:
CCc1cc2c(nc1CC)CCN(CCC(C)=NOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C2

Aglycone:
CCc1cc2c(nc1CC)CCN(CCC(C)=NO)C2.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: 0.67
AlogP: 2.43 Num_rotatable_bonds: 12
MolWt: 605.69 Num_heavy_atoms: 43
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
AD01452
Formula: C16H25ON3

Smiles:
CCc1cc2c(nc1CC)CCN(CCC(C)=NO)C2
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.62
AlogP: 2.8 Num_rotatable_bonds: 5
MolWt: 275.4 Num_heavy_atoms: 20
TPSA: 48.72 NumAromaticRings: 1

Sugarmoiety
SD00012

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