Glycoside
...
GD000559

Name:
None

Formula:
C30H30O11N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CN3C(=O)C(=Cc4ccco4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1C(=Cc2ccco2)c2ccccc2N1CC1=C[N]N=N1

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 0 FractionCSP3: 0.37
AlogP: 2.21 Num_rotatable_bonds: 9
MolWt: 622.59 Num_heavy_atoms: 45
TPSA: 178.59 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
AD00612
Formula: C16H11O2N4

Smiles:
O=C1C(=Cc2ccco2)c2ccccc2N1CC1=C[N]N=N1
HBA: 6 RingCount: 4
HBD: 0 FractionCSP3: 0.06
AlogP: 2.99 Num_rotatable_bonds: 3
MolWt: 291.29 Num_heavy_atoms: 22
TPSA: 72.27 NumAromaticRings: 2

Sugarmoiety
SD00012

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