Glycoside
GD116142
Name:
Penicilloside CFormula:
C52H80O21Smiles:
CCC(C)C(=O)OC(C)C1CC(OC(=O)c2ccccc2)C2(O)C1(C)CCC1C3(C)CCC(OC4OC(C)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C(OC)C4O)CC3CCC12OAglycone:
CCC(C)C(=O)OC(C)C1CC(OC(=O)c2ccccc2)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12OSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.85 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 15 |
| MolWt: | 1041.19 | Num_heavy_atoms: | 73 |
| TPSA: | 319.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD46073
Formula: C33H48O7
Smiles:
CCC(C)C(=O)OC(C)C1CC(OC(=O)c2ccccc2)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 556.74 | Num_heavy_atoms: | 40 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
