Glycoside
...
GD019221

Name:
None

Formula:
C42H38O10N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(Cn3cc(C=CC(=O)c4c5ccccc5cc5ccccc45)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(C=Cc1cn(CC2=C[N]N=N2)c2ccccc12)c1c2ccccc2cc2ccccc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 0 FractionCSP3: 0.26
AlogP: 5.74 Num_rotatable_bonds: 11
MolWt: 758.78 Num_heavy_atoms: 56
TPSA: 167.14 NumAromaticRings: 6

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
AD13447
Formula: C28H19ON4

Smiles:
O=C(C=Cc1cn(CC2=C[N]N=N2)c2ccccc12)c1c2ccccc2cc2ccccc12
HBA: 5 RingCount: 6
HBD: 0 FractionCSP3: 0.04
AlogP: 6.67 Num_rotatable_bonds: 5
MolWt: 427.49 Num_heavy_atoms: 33
TPSA: 60.82 NumAromaticRings: 5

Sugarmoiety
SD00012

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