Glycoside
GD031807
Name:
NoneFormula:
C31H40O17Smiles:
C[C@]1(O)CC[C@@H]2C(C(=O)O[C@@H]3CO[C@](O)(CO)[C@H](O)[C@H]3O)=CO[C@H](O[C@@H]3O[C@H](COC(=O)C=Cc4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1(O)CCC2C(C(=O)O)=COC(O)C21.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1(O)OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 684.64 | Num_heavy_atoms: | 48 |
| TPSA: | 271.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD10227
Formula: C10H14O5
Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
