Glycoside
GD139289
Name:
2-({1-[9a-(hydroxymethyl)-3a,3b,6,6-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-hydroxy-5-methylhex-4-en-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H70O14Smiles:
CC(C)=CCCC(O)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(CO)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(O)(O)C1CCC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 787.0 | Num_heavy_atoms: | 55 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD56167
Formula: C29H50O4
Smiles:
CC(C)=CCCC(O)(O)C1CCC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.72 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
