Glycoside
...
GD106994

Name:
None

Formula:
C37H52O18N

Smiles:
COc1ccc(CC[NH2+][C@@H]2[C@@H](OC(C)=O)[C@@H]3CCO[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@@H]3[C@]2(O)COC(C)=O)cc1OC

Aglycone:
COC(C)=O.COc1ccc(CC[NH2+]C2C(OC(C)=O)C3CCOC(O)C3C2(O)COC(C)=O)cc1OC

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

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 3 FractionCSP3: 0.68
AlogP: -0.5 Num_rotatable_bonds: 16
MolWt: 798.81 Num_heavy_atoms: 56
TPSA: 240.79 NumAromaticRings: 1

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
AD44252
Formula: C23H34O9N

Smiles:
COc1ccc(CC[NH2+]C2C(OC(C)=O)C3CCOC(O)C3C2(O)COC(C)=O)cc1OC
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.65
AlogP: -0.61 Num_rotatable_bonds: 9
MolWt: 468.52 Num_heavy_atoms: 33
TPSA: 137.36 NumAromaticRings: 1

Sugarmoiety
SD00012

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