Glycoside
GD150987
Name:
5-{[3,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-2-yl]oxy}-6-{[11-hydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diolFormula:
C42H72O13Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(CO)C5O)CCC4(C)C3CC(O)C12Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12Sugarmoiety:
OCC1OC(O)C(OC2OC(CO)C(O)C(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 785.03 | Num_heavy_atoms: | 55 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD53733
Formula: C29H50O3
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.72 | Num_heavy_atoms: | 32 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
