Glycoside
GD125306
Name:
7-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2-[2-(5-hydroxy-4,8-dimethylnona-3,7-dienoyl)-2-methylcyclopentyl]-6,10-dimethylundeca-1,5,9-trien-3-oneFormula:
C42H66O12Smiles:
C=C(C(=O)CC=C(C)C(CC=C(C)C)OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O)C1CCCC1(C)C(=O)CC=C(C)C(O)CC=C(C)CAglycone:
C=C(C(=O)CC=C(C)C(O)CC=C(C)C)C1CCCC1(C)C(=O)CC=C(C)C(O)CC=C(C)CSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 17 |
| MolWt: | 762.98 | Num_heavy_atoms: | 54 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD50674
Formula: C30H46O4
Smiles:
C=C(C(=O)CC=C(C)C(O)CC=C(C)C)C1CCCC1(C)C(=O)CC=C(C)C(O)CC=C(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 6.59 | Num_rotatable_bonds: | 13 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
