Glycoside
GD003128
Name:
MEZZETTIASIDE 9Formula:
C30H52O12Smiles:
CCCCCCCCO[C@@H]1O[C@H](C)[C@H](OC(=O)CCCCC)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1OAglycone:
CCCCCC(=O)O.CCCCCCCCOSugarmoiety:
CC(=O)OC1C(OC2C(O)C(C)OC(O)C2O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 17 |
| MolWt: | 604.73 | Num_heavy_atoms: | 42 |
| TPSA: | 156.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD00130
Formula: C6H12O2
Smiles:
CCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
