Glycoside
GD154078
Name:
2-{[1-(2-ethoxy-6-methylhept-5-en-2-yl)-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H66O9Smiles:
CCOC(C)(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12CAglycone:
CCOC(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: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 666.94 | Num_heavy_atoms: | 47 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD61237
Formula: C32H56O4
Smiles:
CCOC(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: | 6.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.8 | Num_heavy_atoms: | 36 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
