Glycoside
...
GD113206

Name:
None

Formula:
C42H32O10N2

Smiles:
O=C(OC[C@H]1O[C@@H](c2nnc(-c3ccccc3)o2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1

Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.c1ccc(-c2nnco2)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 0 FractionCSP3: 0.14
AlogP: 6.71 Num_rotatable_bonds: 11
MolWt: 724.72 Num_heavy_atoms: 54
TPSA: 153.35 NumAromaticRings: 6

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD05759
Formula: C8H6ON2

Smiles:
c1ccc(-c2nnco2)cc1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.74 Num_rotatable_bonds: 1
MolWt: 146.15 Num_heavy_atoms: 11
TPSA: 38.92 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O