Glycoside
...
GD112355

Name:
None

Formula:
C40H33O13N3

Smiles:
COC(=O)c1nnn(C[C@H]2O[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c1C(=O)OC

Aglycone:
COC(=O)c1nnn(C)c1C(=O)OC.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 0 FractionCSP3: 0.2
AlogP: 4.11 Num_rotatable_bonds: 12
MolWt: 763.71 Num_heavy_atoms: 56
TPSA: 197.74 NumAromaticRings: 5

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
AD44765
Formula: C7H9O4N3

Smiles:
COC(=O)c1nnn(C)c1C(=O)OC
HBA: 7 RingCount: 1
HBD: 0 FractionCSP3: 0.43
AlogP: -0.61 Num_rotatable_bonds: 2
MolWt: 199.17 Num_heavy_atoms: 14
TPSA: 83.31 NumAromaticRings: 1

Sugarmoiety
SD00017

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