Glycoside
GD012201
Name:
ERYCIBOSIDE JFormula:
C32H48O18Smiles:
COc1cc(C(=O)OC[C@]2(O)CO[C@H](OC[C@@H]3O[C@H](O[C@H](O)C=C[C@]4(O)C(C)(C)C[C@H](O)C[C@]4(C)O)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc(OC)c1OAglycone:
CC1(C)CC(O)CC(C)(O)C1(O)C=CC(O)O.COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.72 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 720.72 | Num_heavy_atoms: | 50 |
| TPSA: | 283.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD09214
Formula: C12H22O5
Smiles:
CC1(C)CC(O)CC(C)(O)C1(O)C=CC(O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.3 | Num_heavy_atoms: | 17 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
