Glycoside
GD134905
Name:
4-(methoxycarbonyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 4-[2-(acetyloxy)ethyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C34H48O20Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2)C1CCOC(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2)C1CCOC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.74 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 13 |
| MolWt: | 776.74 | Num_heavy_atoms: | 54 |
| TPSA: | 296.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD54572
Formula: C22H28O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2)C1CCOC(C)=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 137.82 | NumAromaticRings: | 0 |
