Glycoside
GD141865
Name:
6-{[5-carboxy-27-hydroxy-6-(methoxymethyl)-1,8,21,21,26-pentamethyl-2-(3-oxopropyl)heptacyclo[16.6.2.1â¸,¹².0²,¹³.0âµ,¹².0¹âµ,²âµ.0²²,²â¶]heptacosa-10,13-dien-20-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C44H64O12Smiles:
COCC1CC2(C)CC=CC3(C4=CC5CCC6CC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C7CCC(C)(C5C67C)C4(CCC=O)CCC13C(=O)O)C2OAglycone:
COCC1CC2(C)CC=CC3(C4=CC5CCC6CC(O)C(C)(C)C7CCC(C)(C5C67C)C4(CCC=O)CCC13C(=O)O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 784.98 | Num_heavy_atoms: | 56 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD57118
Formula: C38H56O6
Smiles:
COCC1CC2(C)CC=CC3(C4=CC5CCC6CC(O)C(C)(C)C7CCC(C)(C5C67C)C4(CCC=O)CCC13C(=O)O)C2O| HBA: | 6 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 6.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.86 | Num_heavy_atoms: | 44 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
