Glycoside
GD021194
Name:
2-{[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy]methyl}-9-formyl-5-methyl-12-oxo-13-(propan-2-yl)tetracyclo[7.4.0.0²,¹¹.0â´,â¸]tridecane-1-carboxylic acidFormula:
C27H40O9Smiles:
CO[C@H]1[C@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C(=O)C(C(C)C)[C@]34C(=O)O)[C@@H](O)[C@H]1OAglycone:
CC(C)C1C(=O)C2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.61 | Num_heavy_atoms: | 36 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD14519
Formula: C20H28O5
Smiles:
CC(C)C1C(=O)C2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
