Glycoside
...
GD037245

Name:
None

Formula:
C45H53O21N3

Smiles:
CC[C@]1(OC(=O)NCCOCCO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(C)=O)[C@H]2O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

Aglycone:
CCC1(OC(=O)NCCOCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(O)C(OC(C)=O)C2OC(C)=O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 7
HBD: 4 FractionCSP3: 0.56
AlogP: -0.25 Num_rotatable_bonds: 17
MolWt: 971.92 Num_heavy_atoms: 69
TPSA: 311.56 NumAromaticRings: 3

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
AD18670
Formula: C25H25O7N3

Smiles:
CCC1(OC(=O)NCCOCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
HBA: 10 RingCount: 5
HBD: 2 FractionCSP3: 0.36
AlogP: 1.82 Num_rotatable_bonds: 7
MolWt: 479.49 Num_heavy_atoms: 35
TPSA: 128.98 NumAromaticRings: 3

Sugarmoiety
SD03303

CC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(O)C(OC(C)=O)C2OC(C)=O)C1O