Glycoside
...
GD000014

Name:
None

Formula:
C33H34O10N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CN3C(=O)C(=Cc4ccc(C)cc4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccc(C=C2C(=O)N(CC3=C[N]N=N3)c3ccccc32)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 0 FractionCSP3: 0.36
AlogP: 2.93 Num_rotatable_bonds: 9
MolWt: 646.65 Num_heavy_atoms: 47
TPSA: 165.45 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
AD00018
Formula: C19H15ON4

Smiles:
Cc1ccc(C=C2C(=O)N(CC3=C[N]N=N3)c3ccccc32)cc1
HBA: 5 RingCount: 4
HBD: 0 FractionCSP3: 0.11
AlogP: 3.71 Num_rotatable_bonds: 3
MolWt: 315.36 Num_heavy_atoms: 24
TPSA: 59.13 NumAromaticRings: 2

Sugarmoiety
SD00012

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