Glycoside
GD009980
Name:
3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,7,11,15-tetramethylhexadecan-4-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C42H62O11Smiles:
CCC(C)C(CCC(C)CCCC(C)CCCC(C)C)O[C@@H]1[C@H](CO)O[C@H](Oc2c(-c3ccc(OC)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1OAglycone:
CCC(C)C(O)CCC(C)CCCC(C)CCCC(C)C.COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 7.55 | Num_rotatable_bonds: | 20 |
| MolWt: | 742.95 | Num_heavy_atoms: | 53 |
| TPSA: | 168.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD07765
Formula: C20H42O
Smiles:
CCC(C)C(O)CCC(C)CCCC(C)CCCC(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 13 |
| MolWt: | 298.55 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD07766
Formula: C16H12O6
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
