Glycoside
GD137764
Name:
1-acetyl-3a,3b-dihydroxy-7-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3,4-dimethylpent-2-enoateFormula:
C42H66O12Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5(O)C4CC(OC(=O)C=C(C)C(C)C)C4(C)C(C(C)=O)CCC54O)C3)CC2OC)OC(C)C1OAglycone:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 762.98 | Num_heavy_atoms: | 54 |
| TPSA: | 159.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD45368
Formula: C28H42O6
Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
