Glycoside
...
GD010964

Name:
None

Formula:
C40H52O15N2

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)CNCCCCc4ccc(-c5ccccc5)cc4)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)CNCCCCc2ccc(-c3ccccc3)cc2)O1.COc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 10 FractionCSP3: 0.5
AlogP: -0.69 Num_rotatable_bonds: 19
MolWt: 800.86 Num_heavy_atoms: 57
TPSA: 266.19 NumAromaticRings: 3

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
AD08409
Formula: C28H38O9N2

Smiles:
COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNCCCCc2ccc(-c3ccccc3)cc2)O1
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.5
AlogP: 0.04 Num_rotatable_bonds: 14
MolWt: 546.62 Num_heavy_atoms: 39
TPSA: 177.81 NumAromaticRings: 2

Sugarmoiety
SD00017

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