Glycoside
GD120849
Name:
6-{[11-carboxy-10-(methoxymethyl)-1,8,8,14,15,21-hexamethylhexacyclo[15.7.1.0²,¹âµ.0âµ,¹â´.0â¶,¹¹.0²¹,²âµ]pentacos-4-en-22-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C40H62O10Smiles:
COCC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C6(C)CCCC(CC4(C)C3(C)CCC12C(=O)O)C65Aglycone:
COCC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C6(C)CCCC(CC4(C)C3(C)CCC12C(=O)O)C65Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 5.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 702.93 | Num_heavy_atoms: | 50 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD48591
Formula: C34H54O4
Smiles:
COCC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C6(C)CCCC(CC4(C)C3(C)CCC12C(=O)O)C65| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 7.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 526.8 | Num_heavy_atoms: | 38 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
