Glycoside
GD119630
Name:
(10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C30H38O17Smiles:
CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(COC(=O)C=Cc4ccc(O)c(O)c4)OC23)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.63 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 670.62 | Num_heavy_atoms: | 47 |
| TPSA: | 267.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD47966
Formula: C18H18O8
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC12OC1C(O)C1C=COC(O)C12| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.33 | Num_heavy_atoms: | 26 |
| TPSA: | 128.98 | NumAromaticRings: | 1 |
