Glycoside
...
GD123491

Name:
Penicilloside B

Formula:
C47H72O20

Smiles:
COC1C(O)C(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C(C)OC(=O)c5ccccc5)CC(O)C34O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)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(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.85
AlogP: -1.39 Num_rotatable_bonds: 12
MolWt: 957.07 Num_heavy_atoms: 67
TPSA: 313.44 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
SD00606

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O