Glycoside
GD147341
Name:
MusarosideFormula:
C30H44O10Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3C(=O)C(O)C3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1OAglycone:
CC12CCC(O)CC1CCC1C2C(=O)C(O)C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.67 | Num_heavy_atoms: | 40 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD55132
Formula: C23H32O6
Smiles:
CC12CCC(O)CC1CCC1C2C(=O)C(O)C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
