Glycoside
GD141213
Name:
7-[(5-hydroxy-3,4-dimethoxyoxan-2-yl)oxy]-1-(7-hydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,3,3b,5-tetrolFormula:
C35H60O10Smiles:
COC1C(O)COC(OC2C=C3C(O)CC4(O)C(CCC5(C)C(C(C)CCC(C)C(C)CO)C(O)C(O)C54)C3(C)CC2)C1OCAglycone:
CC(CO)C(C)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12OSugarmoiety:
COC1C(O)COC(O)C1OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 640.86 | Num_heavy_atoms: | 45 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD56908
Formula: C28H48O6
Smiles:
CC(CO)C(C)CCC(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: | 2.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.69 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
