Glycoside
GD122624
Name:
2-(hydroxymethyl)-6-{[(6-methyl-2-{5,7,11-trihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-5-en-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C37H64O9Smiles:
CC(C)=CCCC(C)(OCC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12CAglycone:
COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.91 | Num_heavy_atoms: | 46 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD02918
Formula: C31H54O4
Smiles:
COC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.77 | Num_heavy_atoms: | 35 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
