Glycoside
GD126800
Name:
3,4-dihydroxy-6-{[19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-22-oxo-21-oxahexacyclo[18.2.1.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tricosan-10-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C42H66O14Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(C(C)(C)O)C7CC6(CCC45C)C(=O)O7)C3(C)C)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1C2CC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C13)C(=O)O2Sugarmoiety:
CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD04069
Formula: C30H48O4
Smiles:
CC(C)(O)C1C2CC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C13)C(=O)O2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
