Glycoside
GD118501
Name:
9-hydroxy-1,4a,7-trimethyl-7-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-dodecahydro-1H-phenanthro[8,8a-b]oxirene-1-carboxylic acidFormula:
C26H42O10Smiles:
CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC2C3(C)CCCC(C)(C(=O)O)C3CC(O)C23OC13Aglycone:
CC1(CCO)CCC2C3(C)CCCC(C)(C(=O)O)C3CC(O)C23OC13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.61 | Num_heavy_atoms: | 36 |
| TPSA: | 169.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD47392
Formula: C20H32O5
Smiles:
CC1(CCO)CCC2C3(C)CCCC(C)(C(=O)O)C3CC(O)C23OC13| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 90.29 | NumAromaticRings: | 0 |
