Glycoside
GD134494
Name:
6-({18-carboxy-15-cyclopentyl-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:
C42H62O9Smiles:
CC12CC=CC3(C1)C1=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C1(C1CCCC1)CCC3(C(=O)O)CC2Aglycone:
CC12CC=CC3(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C1CCCC1)CCC3(C(=O)O)CC2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 710.95 | Num_heavy_atoms: | 51 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD54404
Formula: C36H54O3
Smiles:
CC12CC=CC3(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C1CCCC1)CCC3(C(=O)O)CC2| HBA: | 3 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 8.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 534.83 | Num_heavy_atoms: | 39 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
