Glycoside
GD006318
Name:
NoneFormula:
C30H40O13Smiles:
CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(=O)C=Cc2ccc(O)cc2)[C@@H]2CC[C@](O)(CO)[C@H]12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CCC(O)(CO)C12.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 608.64 | Num_heavy_atoms: | 43 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD05245
Formula: C15H24O6
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CCC(O)(CO)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.35 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
