Glycoside
GD013856
Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,7,11,15-tetramethylhexadec-2-en-4-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-4H-chromen-4-oneFormula:
C43H62O12Smiles:
CC=C(C)C(CCC(C)CCCC(C)CCCC(C)C)O[C@@H]1[C@H](CO)O[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(OC)c(OC)c4)oc3c2)[C@H](O)[C@H]1OAglycone:
CC=C(C)C(O)CCC(C)CCCC(C)CCCC(C)C.COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 7.48 | Num_rotatable_bonds: | 20 |
| MolWt: | 770.96 | Num_heavy_atoms: | 55 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD09742
Formula: C17H14O7
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
AD10276
Formula: C20H40O
Smiles:
CC=C(C)C(O)CCC(C)CCCC(C)CCCC(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 296.54 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
