Glycoside
...
GD128930

Name:
None

Formula:
C36H44O9N2

Smiles:
CC1=CC2C(=O)c3cccc(OC4OC(CO)C(O)C(O)(CC5(C6=CCNC(N)=C6)CCC6(CCCC6)C5)C4O)c3C(=O)C2C(O)=C1

Aglycone:
CC1(C2=CCNC(N)=C2)CCC2(CCCC2)C1.CC1=CC2C(=O)c3cccc(O)c3C(=O)C2C(O)=C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 8 FractionCSP3: 0.56
AlogP: 2.7 Num_rotatable_bonds: 6
MolWt: 648.75 Num_heavy_atoms: 47
TPSA: 191.8 NumAromaticRings: 1

Unique Aglycone
AD49197
Formula: C15H12O4

Smiles:
CC1=CC2C(=O)c3cccc(O)c3C(=O)C2C(O)=C1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.2
AlogP: 2.41 Num_rotatable_bonds: 0
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 74.6 NumAromaticRings: 1
AD52223
Formula: C15H24N2

Smiles:
CC1(C2=CCNC(N)=C2)CCC2(CCCC2)C1
HBA: 2 RingCount: 3
HBD: 3 FractionCSP3: 0.73
AlogP: 3.07 Num_rotatable_bonds: 1
MolWt: 232.37 Num_heavy_atoms: 17
TPSA: 38.05 NumAromaticRings: 0

Sugarmoiety
SD04501

OCC1OC(O)C(O)C(O)(O)C1O