Glycoside
...
GD145586

Name:
None

Formula:
C34H36O14N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5C=CN=C5C4)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21

Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 5 FractionCSP3: 0.44
AlogP: 0.55 Num_rotatable_bonds: 12
MolWt: 696.66 Num_heavy_atoms: 50
TPSA: 215.5 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
AD58424
Formula: C25H24O6N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.32
AlogP: 3.05 Num_rotatable_bonds: 6
MolWt: 448.48 Num_heavy_atoms: 33
TPSA: 92.98 NumAromaticRings: 2

Sugarmoiety
SD00017

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