Glycoside
...
GD147506

Name:
None

Formula:
C28H32O9N2

Smiles:
CC1=CC2C(=O)c3cccc(OC4OC(CO)C(O)C(O)(CCC5=CCNC(N)=C5)C4O)c3C(=O)C2C(O)=C1

Aglycone:
CC1=CC2C(=O)c3cccc(O)c3C(=O)C2C(O)=C1.CCC1=CCNC(N)=C1

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.43
AlogP: 0.36 Num_rotatable_bonds: 6
MolWt: 540.57 Num_heavy_atoms: 39
TPSA: 191.8 NumAromaticRings: 1

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
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