Glycoside
...
GD028175

Name:
None

Formula:
C49H72O16

Smiles:
COc1cc(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]6CC=C7C[C@H](O)CC[C@@]7(C)[C@H]6CC[C@@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)OC[C@H]3O)OC[C@H](O)[C@H]2O)cc(OC)c1OC

Aglycone:
CC(C)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.COc1cc(C(=O)O)cc(OC)c1OC

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 4 FractionCSP3: 0.78
AlogP: 4.93 Num_rotatable_bonds: 15
MolWt: 917.1 Num_heavy_atoms: 65
TPSA: 215.2 NumAromaticRings: 1

Unique Aglycone
AD07161
Formula: C10H12O5

Smiles:
COc1cc(C(=O)O)cc(OC)c1OC
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.41 Num_rotatable_bonds: 4
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 64.99 NumAromaticRings: 1
AD18446
Formula: C27H44O3

Smiles:
CC(C)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.89
AlogP: 5.54 Num_rotatable_bonds: 5
MolWt: 416.65 Num_heavy_atoms: 30
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00355

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