Glycoside
GD150578
Name:
1-[5-(2-{[5-(2-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-1-hydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}ethyl)-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,7-pentolFormula:
C41H72O16Smiles:
CC(C)C(CCOC1OC(C(O)COC2OC(C(O)CO)C(O)C2O)C(O)C1O)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
OCC(O)C1OC(OCC(O)C2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 15 |
| MolWt: | 821.01 | Num_heavy_atoms: | 57 |
| TPSA: | 279.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD00818
Formula: C29H52O6
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.73 | Num_heavy_atoms: | 35 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
