Glycoside
GD147459
Name:
6-{[18-carboxy-15-cyclopentyl-19-(methoxymethyl)-6,10,10,14,21-pentamethylhexacyclo[19.3.1.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹]pentacosa-2,23-dien-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C44H66O10Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C2CCCC2)CCC13C(=O)OAglycone:
COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C2CCCC2)CCC13C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 755.0 | Num_heavy_atoms: | 54 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD59054
Formula: C38H58O4
Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C2CCCC2)CCC13C(=O)O| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 8.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 578.88 | Num_heavy_atoms: | 42 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
