Glycoside
...
GD025387

Name:
None

Formula:
C49H64O16

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]6CC=C7C[C@H](O)CC[C@@]7(C)[C@H]6CC[C@@]5(C)[C@@]4(O)[C@H](C)COC(=O)c4ccccc4)OC[C@H]3O)OC[C@H](O)[C@H]2O)cc1

Aglycone:
CC(COC(=O)c1ccccc1)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.COc1ccc(C(=O)O)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 5 FractionCSP3: 0.65
AlogP: 3.88 Num_rotatable_bonds: 12
MolWt: 909.04 Num_heavy_atoms: 65
TPSA: 226.2 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
AD16838
Formula: C29H40O5

Smiles:
CC(COC(=O)c1ccccc1)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.69
AlogP: 4.51 Num_rotatable_bonds: 4
MolWt: 468.63 Num_heavy_atoms: 34
TPSA: 86.99 NumAromaticRings: 1

Sugarmoiety
SD00355

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