Glycoside
...
GD139804

Name:
None

Formula:
C36H38O10N2

Smiles:
COc1cc(OC2OC(CO)C(O)(CCC3=CCNC(N)=C3)C(O)C2O)c2c(c1)C(=O)c1cc(CCc3ccccc3)cc(O)c1C2=O

Aglycone:
CCC1=CCNC(N)=C1.COc1cc(O)c2c(c1)C(=O)c1cc(CCc3ccccc3)cc(O)c1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 8 FractionCSP3: 0.33
AlogP: 1.62 Num_rotatable_bonds: 10
MolWt: 658.7 Num_heavy_atoms: 48
TPSA: 201.03 NumAromaticRings: 3

Unique Aglycone
AD44859
Formula: C7H12N2

Smiles:
CCC1=CCNC(N)=C1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.43
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 124.19 Num_heavy_atoms: 9
TPSA: 38.05 NumAromaticRings: 0
AD54564
Formula: C23H18O5

Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CCc3ccccc3)cc(O)c1C2=O
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.13
AlogP: 3.67 Num_rotatable_bonds: 4
MolWt: 374.39 Num_heavy_atoms: 28
TPSA: 83.83 NumAromaticRings: 3

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O