Glycoside
...
GD127785

Name:
None

Formula:
C32H38O9N2

Smiles:
CC1=CC2C(=O)c3cccc(OC4OC(CO)C(O)C(O)(CC5(C6=CCNC(N)=C6)CCCC5)C4O)c3C(=O)C2C(O)=C1

Aglycone:
CC1(C2=CCNC(N)=C2)CCCC1.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: 6
HBD: 8 FractionCSP3: 0.5
AlogP: 1.53 Num_rotatable_bonds: 6
MolWt: 594.66 Num_heavy_atoms: 43
TPSA: 191.8 NumAromaticRings: 1

Unique Aglycone
AD46376
Formula: C11H18N2

Smiles:
CC1(C2=CCNC(N)=C2)CCCC1
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.64
AlogP: 1.9 Num_rotatable_bonds: 1
MolWt: 178.28 Num_heavy_atoms: 13
TPSA: 38.05 NumAromaticRings: 0
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

Sugarmoiety
SD04501

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