Glycoside
...
GD036534

Name:
None

Formula:
C40H46O17N4

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

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

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

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 3 FractionCSP3: 0.5
AlogP: 1.48 Num_rotatable_bonds: 17
MolWt: 854.82 Num_heavy_atoms: 61
TPSA: 267.66 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
AD20742
Formula: C27H29O8N3

Smiles:
CCC1(OC(=O)NCCOCCOCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
HBA: 11 RingCount: 5
HBD: 2 FractionCSP3: 0.41
AlogP: 1.84 Num_rotatable_bonds: 10
MolWt: 523.54 Num_heavy_atoms: 38
TPSA: 138.21 NumAromaticRings: 3

Sugarmoiety
SD03181

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