Glycoside
GD035033
Name:
NoneFormula:
C28H36O15Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@H]3OC=C[C@]4(O)[C@H]3[C@@](C)(OC(C)=O)C[C@H]4O)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
CC(=O)OC1(C)CC(O)C2(O)C=COC(O)C12.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 220.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD11842
Formula: C11H16O6
Smiles:
CC(=O)OC1(C)CC(O)C2(O)C=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
