Glycoside
...
GD004599

Name:
None

Formula:
C36H34O10N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CN3C(=O)C(=Cc4ccc5ccccc5c4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1C(=Cc2ccc3ccccc3c2)c2ccccc2N1CC1=C[N]N=N1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 0 FractionCSP3: 0.31
AlogP: 3.77 Num_rotatable_bonds: 9
MolWt: 682.69 Num_heavy_atoms: 50
TPSA: 165.45 NumAromaticRings: 4

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
AD03995
Formula: C22H15ON4

Smiles:
O=C1C(=Cc2ccc3ccccc3c2)c2ccccc2N1CC1=C[N]N=N1
HBA: 5 RingCount: 5
HBD: 0 FractionCSP3: 0.05
AlogP: 4.55 Num_rotatable_bonds: 3
MolWt: 351.39 Num_heavy_atoms: 27
TPSA: 59.13 NumAromaticRings: 3

Sugarmoiety
SD00012

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