Glycoside
...
GD110398

Name:
None

Formula:
C32H37O14N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(COC(=O)N3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(OCc1ccc(O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 0 FractionCSP3: 0.47
AlogP: 2.52 Num_rotatable_bonds: 11
MolWt: 687.66 Num_heavy_atoms: 49
TPSA: 199.58 NumAromaticRings: 2

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
AD44633
Formula: C18H19O5N3

Smiles:
O=C(OCc1ccc(O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1
HBA: 8 RingCount: 3
HBD: 1 FractionCSP3: 0.28
AlogP: 2.76 Num_rotatable_bonds: 4
MolWt: 357.37 Num_heavy_atoms: 26
TPSA: 96.15 NumAromaticRings: 2

Sugarmoiety
SD00012

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