Glycoside
...
GD147386

Name:
None

Formula:
C34H37O14N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5[NH+]=CC=C5C4)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21

Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5[NH+]=CC=C5C4)cc(O)cc3OCC21

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 6 FractionCSP3: 0.44
AlogP: -1.37 Num_rotatable_bonds: 12
MolWt: 697.67 Num_heavy_atoms: 50
TPSA: 217.11 NumAromaticRings: 2

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD59027
Formula: C25H25O6N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5[NH+]=CC=C5C4)cc(O)cc3OCC21
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.32
AlogP: 1.13 Num_rotatable_bonds: 6
MolWt: 449.48 Num_heavy_atoms: 33
TPSA: 94.59 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O