Glycoside
...
GD035963

Name:
None

Formula:
C63H60O10N6

Smiles:
O=C(Cn1cc(COC[C@@H]2O[C@H](OCc3cn(CC(=O)OC(c4ccccc4)c4ccccc4)nn3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1)OC(c1ccccc1)c1ccccc1

Aglycone:
COCc1cn(CC(=O)OC(c2ccccc2)c2ccccc2)nn1.O=C(Cn1cc(CO)nn1)OC(c1ccccc1)c1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 10
HBD: 0 FractionCSP3: 0.24
AlogP: 9.75 Num_rotatable_bonds: 26
MolWt: 1061.2 Num_heavy_atoms: 79
TPSA: 169.4 NumAromaticRings: 9

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD22725
Formula: C19H19O3N3

Smiles:
COCc1cn(CC(=O)OC(c2ccccc2)c2ccccc2)nn1
HBA: 6 RingCount: 3
HBD: 0 FractionCSP3: 0.21
AlogP: 2.76 Num_rotatable_bonds: 7
MolWt: 337.38 Num_heavy_atoms: 25
TPSA: 66.24 NumAromaticRings: 3
AD22726
Formula: C18H17O3N3

Smiles:
O=C(Cn1cc(CO)nn1)OC(c1ccccc1)c1ccccc1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.17
AlogP: 2.1 Num_rotatable_bonds: 6
MolWt: 323.35 Num_heavy_atoms: 24
TPSA: 77.24 NumAromaticRings: 3

Sugarmoiety
SD00017

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