Glycoside
GD012020
Name:
NoneFormula:
C45H66O12Smiles:
CC=CC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2C(C)=CC[C@@H]3C[C@H](C[C@]4(CC[C@H](C)[C@H](C(C)CC)O4)O3)OC(=O)[C@@H]3C=C(C)[C@H](O)[C@@H]4OCC(=CC=C[C@H]2C)[C@@]43O)C[C@H]1OCAglycone:
CC=CC(=O)O.CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 799.01 | Num_heavy_atoms: | 57 |
| TPSA: | 148.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD02409
Formula: C34H50O8
Smiles:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 586.77 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
AD04131
Formula: C4H6O2
Smiles:
CC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.09 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
