Glycoside
...
GD155347

Name:
None

Formula:
C33H35O13N2

Smiles:
COc1ccc2c(c1OC)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(c1OC)OC1c3c(CN4C=C5[NH+]=CC=C5C4)cc(O)cc3OCC21

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 5 FractionCSP3: 0.42
AlogP: -0.73 Num_rotatable_bonds: 10
MolWt: 667.64 Num_heavy_atoms: 48
TPSA: 196.88 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
AD61628
Formula: C24H23O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5[NH+]=CC=C5C4)cc(O)cc3OCC21
HBA: 7 RingCount: 6
HBD: 2 FractionCSP3: 0.29
AlogP: 1.77 Num_rotatable_bonds: 4
MolWt: 419.46 Num_heavy_atoms: 31
TPSA: 74.36 NumAromaticRings: 2

Sugarmoiety
SD00017

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