Glycoside
...
GD008400

Name:
None

Formula:
C32H33O12N2Cl

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCCOC2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1OCCO

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 1 FractionCSP3: 0.42
AlogP: 2.57 Num_rotatable_bonds: 11
MolWt: 661.06 Num_heavy_atoms: 46
TPSA: 174.35 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD06711
Formula: C18H15O3N2Cl

Smiles:
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1OCCO
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.18
AlogP: 2.46 Num_rotatable_bonds: 4
MolWt: 330.77 Num_heavy_atoms: 23
TPSA: 70.92 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O