Glycoside
GD134452
Name:
6-({13-carboxy-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:
C40H58O9Smiles:
CC12CC=CC3(C1)C1=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C6(C)CCCC(CC4(C)C1(C)CCC3(C(=O)O)CC2)C65Aglycone:
CC12CC=CC3(C1)C1=CCC4C5(C)CCC(O)C6(C)CCCC(CC4(C)C1(C)CCC3(C(=O)O)CC2)C65Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 682.89 | Num_heavy_atoms: | 49 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD54390
Formula: C34H50O3
Smiles:
CC12CC=CC3(C1)C1=CCC4C5(C)CCC(O)C6(C)CCCC(CC4(C)C1(C)CCC3(C(=O)O)CC2)C65| HBA: | 3 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 7.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 506.77 | Num_heavy_atoms: | 37 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
