Glycoside
GD136943
Name:
4,5-dihydroxy-2-{[10-hydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C38H64O9Smiles:
CC(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3C(O)CC3C(C(C)(O)CCC=C(C)C)CCC34C)C2(C)C)OC(CO)C(O)C1OAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1CC(O)C1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 664.92 | Num_heavy_atoms: | 47 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD55344
Formula: C30H52O3
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1CC(O)C1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
