Glycoside
GD157440
Name:
2-(hydroxymethyl)-6-[(6-methyl-2-{5,7,11-trihydroxy-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-5-en-2-yl)oxy]oxane-3,4,5-triolFormula:
C35H60O9Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.86 | Num_heavy_atoms: | 44 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD51007
Formula: C29H50O4
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.72 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
