Glycoside
GD157822
Name:
1-(7-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,3,3b,5-tetrolFormula:
C32H54O10Smiles:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)C=C3C(O)CC12OAglycone:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 598.77 | Num_heavy_atoms: | 42 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD51616
Formula: C27H46O6
Smiles:
CC(CO)CCCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.66 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
