Glycoside
GD011004
Name:
NoneFormula:
C28H36O12Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](OCCC=CC[C@@H]3C(=O)CC[C@H]3CC(=O)O)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=C(O)CC1CCC(=O)C1CC=CCCOSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 13 |
| MolWt: | 564.58 | Num_heavy_atoms: | 40 |
| TPSA: | 189.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD08439
Formula: C12H18O4
Smiles:
O=C(O)CC1CCC(=O)C1CC=CCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 226.27 | Num_heavy_atoms: | 16 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
