Glycoside
GD107751
Name:
10-{[3,4-dihydroxy-5-(propan-2-yloxy)-6-[(propan-2-yloxy)methyl]oxan-2-yl]oxy}-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,â´]decan-5-yl 4-hydroxybenzoateFormula:
C28H40O12Smiles:
CC(C)OC[C@@H]1O[C@H](O[C@@H]2OCC[C@H]3[C@H](OC(=O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1OC(C)CAglycone:
COC(C)C.O=C(OC1C2CCOC(O)C2C2(CO)OC12)c1ccc(O)cc1Sugarmoiety:
CC(C)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 568.62 | Num_heavy_atoms: | 40 |
| TPSA: | 165.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD03491
Formula: C4H10O
Smiles:
COC(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
AD13126
Formula: C16H18O7
Smiles:
O=C(OC1C2CCOC(O)C2C2(CO)OC12)c1ccc(O)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.31 | Num_heavy_atoms: | 23 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
