Glycoside
...
GD004086

Name:
None

Formula:
C31H46O16N2

Smiles:
COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CNC(=O)C4CCCCC4)O3)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)C2CCCCC2)O1.COc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 10 FractionCSP3: 0.71
AlogP: -3.28 Num_rotatable_bonds: 14
MolWt: 702.71 Num_heavy_atoms: 49
TPSA: 283.26 NumAromaticRings: 1

Unique Aglycone
AD01111
Formula: C7H8O2

Smiles:
COc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.4 Num_rotatable_bonds: 1
MolWt: 124.14 Num_heavy_atoms: 9
TPSA: 29.46 NumAromaticRings: 1
AD03623
Formula: C19H32O10N2

Smiles:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)C2CCCCC2)O1
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.84
AlogP: -2.54 Num_rotatable_bonds: 9
MolWt: 448.47 Num_heavy_atoms: 31
TPSA: 194.88 NumAromaticRings: 0

Sugarmoiety
SD00017

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