Glycoside
GD154840
Name:
methyl 7-methyl-1-{[3,4,5-tris(acetyloxy)-6-({[3-(acetyloxy)but-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C29H38O15Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C=C(C)OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2C(C)CCC12Aglycone:
COC(=O)C1=COC(O)C2C(C)CCC12.COC(=O)C=C(C)OC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.66 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.61 | Num_heavy_atoms: | 44 |
| TPSA: | 185.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD11261
Formula: C11H16O4
Smiles:
COC(=O)C1=COC(O)C2C(C)CCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.24 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD61464
Formula: C7H10O4
Smiles:
COC(=O)C=C(C)OC(C)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 158.15 | Num_heavy_atoms: | 11 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
