Glycoside
...
GD032458

Name:
None

Formula:
C39H43O17N3

Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3cn([C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)nn3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC

Aglycone:
COC(C)=O.COc1cc(C2c3cc4c(cc3C(OCC3=C[N]N=N3)C3COC(=O)C23)OCO4)cc(OC)c1OC

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 0 FractionCSP3: 0.51
AlogP: 2.48 Num_rotatable_bonds: 13
MolWt: 825.78 Num_heavy_atoms: 59
TPSA: 226.82 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
AD20821
Formula: C25H24O8N3

Smiles:
COc1cc(C2c3cc4c(cc3C(OCC3=C[N]N=N3)C3COC(=O)C23)OCO4)cc(OC)c1OC
HBA: 11 RingCount: 6
HBD: 0 FractionCSP3: 0.4
AlogP: 3.26 Num_rotatable_bonds: 7
MolWt: 494.48 Num_heavy_atoms: 36
TPSA: 120.5 NumAromaticRings: 2

Sugarmoiety
SD00012

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