Glycoside
...
GD152692

Name:
None

Formula:
C36H43O12N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCCO)C(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCCO)C(O)C3.Cc1ccc(O)cc1

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 8 FractionCSP3: 0.44
AlogP: -0.61 Num_rotatable_bonds: 14
MolWt: 695.74 Num_heavy_atoms: 50
TPSA: 216.72 NumAromaticRings: 3

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD46857
Formula: C23H25O5N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCCO)C(O)C3
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.39
AlogP: 0.68 Num_rotatable_bonds: 4
MolWt: 409.46 Num_heavy_atoms: 30
TPSA: 97.11 NumAromaticRings: 2

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO