Glycoside
GD132060
Name:
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,6-dimethylhept-5-en-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6-tetrolFormula:
C39H66O14Smiles:
COC1C(OC2CCC3(C)C(C(O)CC4(O)C3CCC3(C)C(C(C)CCC(C)=C(C)COC5OC(CO)C(O)C5O)CC(O)C34)C2O)OCC(O)C1OAglycone:
CC(CO)=C(C)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
COC1C(O)OCC(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 758.94 | Num_heavy_atoms: | 53 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD52350
Formula: C28H48O6
Smiles:
CC(CO)=C(C)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.69 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
