Glycoside
...
GD156167

Name:
Penicilloside A

Formula:
C41H62O15

Smiles:
COC1C(O)C(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C(C)OC(=O)c5ccccc5)CC(O)C34O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(OC(=O)c1ccccc1)C1CC(O)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.83
AlogP: 0.78 Num_rotatable_bonds: 9
MolWt: 794.93 Num_heavy_atoms: 56
TPSA: 234.29 NumAromaticRings: 1

Unique Aglycone
AD48428
Formula: C28H40O6

Smiles:
CC(OC(=O)c1ccccc1)C1CC(O)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.75
AlogP: 3.45 Num_rotatable_bonds: 3
MolWt: 472.62 Num_heavy_atoms: 34
TPSA: 107.22 NumAromaticRings: 1

Sugarmoiety
SD00435

COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O