Glycoside
...
GD021261

Name:
None

Formula:
C45H60O13

Smiles:
COc1ccc(C(=O)O[C@@H]2CCO[C@H]2O[C@@H]2[C@H](OC(C)=O)[C@H](O[C@@H]3C[C@@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]4(C)[C@@]3(O)[C@H](C)C(=O)CCC(C)C)OC[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)C1OC1OCCC1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 3 FractionCSP3: 0.67
AlogP: 5.63 Num_rotatable_bonds: 13
MolWt: 808.96 Num_heavy_atoms: 58
TPSA: 176.51 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
SD02392

CC(=O)OC1C(O)OCC(O)C1OC1OCCC1O