Glycoside
GD125703
Name:
2-{[(2-{7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-en-2-yl)oxy]methyl}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H64O8Smiles:
CC(C)=CCCC(C)(OCC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CAglycone:
COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.91 | Num_heavy_atoms: | 45 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD46556
Formula: C31H54O3
Smiles:
COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 7.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.77 | Num_heavy_atoms: | 34 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
