Glycoside
...
GD020686

Name:
None

Formula:
C31H42O15N2

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)CNCc4ccccc4)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)CNCc2ccccc2)O1.COc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 10 FractionCSP3: 0.55
AlogP: -3.18 Num_rotatable_bonds: 15
MolWt: 682.68 Num_heavy_atoms: 48
TPSA: 266.19 NumAromaticRings: 2

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
AD14247
Formula: C19H28O9N2

Smiles:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNCc2ccccc2)O1
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: -2.45 Num_rotatable_bonds: 10
MolWt: 428.44 Num_heavy_atoms: 30
TPSA: 177.81 NumAromaticRings: 1

Sugarmoiety
SD00017

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