Glycoside
...
GD004969

Name:
None

Formula:
C40H57O14N

Smiles:
COc1ccc(C(=O)O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H]3OC)[C@H](O)[C@H]2N(C)C)cc1

Aglycone:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O.COc1ccc(C(=O)O)cc1

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 1 FractionCSP3: 0.62
AlogP: 3.59 Num_rotatable_bonds: 11
MolWt: 775.89 Num_heavy_atoms: 55
TPSA: 182.66 NumAromaticRings: 1

Unique Aglycone
AD01329
Formula: C8H8O3

Smiles:
COc1ccc(C(=O)O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.39 Num_rotatable_bonds: 2
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 46.53 NumAromaticRings: 1
AD01717
Formula: C24H36O9

Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O
HBA: 9 RingCount: 1
HBD: 1 FractionCSP3: 0.67
AlogP: 2.3 Num_rotatable_bonds: 5
MolWt: 468.54 Num_heavy_atoms: 33
TPSA: 125.43 NumAromaticRings: 0

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O