Glycoside
GD149045
Name:
1-(1,2-dihydroxy-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-4-en-2-yl)-5-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-oneFormula:
C36H60O10Smiles:
CC(C=CCC(O)(CO)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3C(O)CC12C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(C=CCC(O)(CO)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3C(O)CC12C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD59606
Formula: C30H50O5
Smiles:
CC(C=CCC(O)(CO)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3C(O)CC12C)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
