Glycoside
GD138717
Name:
(3,4,5-trihydroxy-6-{[4-(4-hydroxyphenyl)butan-2-yl]oxy}oxan-2-yl)methyl 3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C30H40O15Smiles:
COc1cc(C(=O)OCC2OC(OC(C)CCc3ccc(O)cc3)C(O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)CCc1ccc(O)cc1.COC(=O)c1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 640.64 | Num_heavy_atoms: | 45 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD04221
Formula: C10H14O2
Smiles:
CC(O)CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
