Glycoside
GD116435
Name:
7'-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2'-[3-(2-hydroxy-4-methylpent-3-en-1-yl)-3-methyloxiran-2-yl]-4'b,8',8',10'a-tetramethyl-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-5-oneFormula:
C42H68O14Smiles:
CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2Aglycone:
CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 217.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD46232
Formula: C30H48O5
Smiles:
CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
