Glycoside
GD122144
Name:
6-{[13-carboxy-12-(methoxymethyl)-1,10,16,17,23-pentamethylheptacyclo[17.7.1.1â¶,¹â°.0²,¹â·.0âµ,¹â¶.0â¶,¹³.0²³,²â·]octacosa-4,7-dien-24-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C42H62O10Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C6(C)CCCC(CC4(C)C2(C)CCC13C(=O)O)C65Aglycone:
COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(O)C6(C)CCCC(CC4(C)C2(C)CCC13C(=O)O)C65Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 726.95 | Num_heavy_atoms: | 52 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD49200
Formula: C36H54O4
Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(O)C6(C)CCCC(CC4(C)C2(C)CCC13C(=O)O)C65| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 7.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 550.82 | Num_heavy_atoms: | 40 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
