Glycoside
GD143317
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl 14-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C31H50O12Smiles:
CC1(O)CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5OC5OCC(O)C(O)C5O)CCCC4(C)C2CCC1C3Aglycone:
CC1(O)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 614.73 | Num_heavy_atoms: | 43 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD57653
Formula: C20H32O3
Smiles:
CC1(O)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
