Glycoside
...
GD119824

Name:
None

Formula:
C34H33O13N

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3C3=c4ccccc4=NC3)OCC21

Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3c(cc(O)cc3C3=c4ccccc4=NC3)OCC21

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 4 FractionCSP3: 0.38
AlogP: 0.35 Num_rotatable_bonds: 9
MolWt: 663.63 Num_heavy_atoms: 48
TPSA: 192.03 NumAromaticRings: 3

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
AD48068
Formula: C25H21O5N

Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3C3=c4ccccc4=NC3)OCC21
HBA: 6 RingCount: 6
HBD: 1 FractionCSP3: 0.24
AlogP: 2.85 Num_rotatable_bonds: 3
MolWt: 415.45 Num_heavy_atoms: 31
TPSA: 69.51 NumAromaticRings: 3

Sugarmoiety
SD00017

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