Glycoside
...
GD025643

Name:
None

Formula:
C50H66O17

Smiles:
COc1ccc(C(=O)OC[C@H](C)[C@]2(O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4OC(=O)c4ccc(OC)cc4)[C@H]3OC(C)=O)C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@]32C)cc1

Aglycone:
COc1ccc(C(=O)O)cc1.COc1ccc(C(=O)OCC(C)C2(O)C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)cc1

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 5 FractionCSP3: 0.66
AlogP: 3.88 Num_rotatable_bonds: 13
MolWt: 939.06 Num_heavy_atoms: 67
TPSA: 235.43 NumAromaticRings: 2

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
AD16983
Formula: C30H42O6

Smiles:
COc1ccc(C(=O)OCC(C)C2(O)C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)cc1
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.7
AlogP: 4.51 Num_rotatable_bonds: 5
MolWt: 498.66 Num_heavy_atoms: 36
TPSA: 96.22 NumAromaticRings: 1

Sugarmoiety
SD00355

CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O