Glycoside
...
GD032660

Name:
None

Formula:
C34H35O12N5

Smiles:
COc1cccc(C2C(C#N)=C(N)Oc3cc(OCc4cn([C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)nn4)ccc32)c1

Aglycone:
COC(C)=O.COc1cccc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)c1

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 2 FractionCSP3: 0.38
AlogP: 2.34 Num_rotatable_bonds: 11
MolWt: 705.68 Num_heavy_atoms: 51
TPSA: 222.64 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
AD20911
Formula: C20H16O3N5

Smiles:
COc1cccc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)c1
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.15
AlogP: 3.12 Num_rotatable_bonds: 5
MolWt: 374.38 Num_heavy_atoms: 28
TPSA: 116.32 NumAromaticRings: 2

Sugarmoiety
SD00012

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