Glycoside
...
GD005150

Name:
None

Formula:
C46H62O15

Smiles:
COc1ccc(C(=O)O[C@@H]2[C@H](O[C@@H]3[C@H](OC(C)=O)[C@H](O[C@@H]4C[C@@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@@]5(C)[C@@]4(O)[C@H](C)C(=O)CCC(C)C)OC[C@H]3O)OC[C@H](O)[C@H]2O)cc1

Aglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CCc4cc(O)ccc4C3CCC21C.COc1ccc(C(=O)O)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 5 FractionCSP3: 0.67
AlogP: 3.96 Num_rotatable_bonds: 13
MolWt: 854.99 Num_heavy_atoms: 61
TPSA: 216.97 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
AD04402
Formula: C26H38O4

Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CCc4cc(O)ccc4C3CCC21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.73
AlogP: 4.59 Num_rotatable_bonds: 5
MolWt: 414.59 Num_heavy_atoms: 30
TPSA: 77.76 NumAromaticRings: 1

Sugarmoiety
SD00355

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