Glycoside
GD115084
Name:
[5,6-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoateFormula:
C29H30O14Smiles:
C=C(CCO)C(=O)OCC1OC(OC(=O)C=Cc2ccc(O)c(O)c2)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1OAglycone:
C=C(CCO)C(=O)OC.O=C(O)C=Cc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 602.55 | Num_heavy_atoms: | 43 |
| TPSA: | 229.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD02615
Formula: C6H10O3
Smiles:
C=C(CCO)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
