Glycoside
...
GD031227

Name:
None

Formula:
C47H68O15

Smiles:
COc1ccc(C(=O)O[C@@H]2[C@H](O[C@@H]3CO[C@H](O[C@@H]4C[C@@H]5[C@@H]6CC=C7C[C@H](O)CC[C@@]7(C)[C@H]6CC[C@@]5(C)[C@H]4[C@H](C)C(=O)CC[C@H](C)CO)[C@H](OC(C)=O)[C@H]3O)OC[C@H](O)[C@H]2O)cc1

Aglycone:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.COc1ccc(C(=O)O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OCC(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 5 FractionCSP3: 0.77
AlogP: 3.88 Num_rotatable_bonds: 14
MolWt: 873.05 Num_heavy_atoms: 62
TPSA: 216.97 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
AD20133
Formula: C27H44O4

Smiles:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.51 Num_rotatable_bonds: 6
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD01431

CC(=O)OC1C(O)OCC(OC2OCC(O)C(O)C2O)C1O