Glycoside
GD149385
Name:
(2-{[3-(cyclopent-2-ene-1-carbonyloxy)-6-[(cyclopent-2-ene-1-carbonyloxy)methyl]-4,5-dihydroxyoxan-2-yl]oxy}-5-hydroxyphenyl)methyl 2-(cyclopent-2-ene-1-carbonyloxy)-1,6-dihydroxy-3-oxocyclohexane-1-carboxylateFormula:
C38H44O16Smiles:
O=C(OCC1OC(Oc2ccc(O)cc2COC(=O)C2(O)C(O)CCC(=O)C2OC(=O)C2C=CCC2)C(OC(=O)C2C=CCC2)C(O)C1O)C1C=CCC1Aglycone:
COC(=O)C1C=CCC1.O=C(O)C1C=CCC1.O=C(OC1C(=O)CCC(O)C1(O)C(=O)OCc1cc(O)ccc1O)C1C=CCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 756.75 | Num_heavy_atoms: | 54 |
| TPSA: | 241.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD45978
Formula: C7H10O2
Smiles:
COC(=O)C1C=CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.15 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD45979
Formula: C6H8O2
Smiles:
O=C(O)C1C=CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.13 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD59748
Formula: C20H22O9
Smiles:
O=C(OC1C(=O)CCC(O)C1(O)C(=O)OCc1cc(O)ccc1O)C1C=CCC1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 150.59 | NumAromaticRings: | 1 |
