Glycoside
...
GD024423

Name:
None

Formula:
C39H55O13N

Smiles:
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](OC(C)=O)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](OC(=O)c2ccccc2)[C@H](N(C)C)[C@H]1O

Aglycone:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O.O=C(O)c1ccccc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.62
AlogP: 3.58 Num_rotatable_bonds: 10
MolWt: 745.86 Num_heavy_atoms: 53
TPSA: 173.43 NumAromaticRings: 1

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 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