Glycoside
GD133037
Name:
1-{1,3a,3b-trihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-11-[(3-phenylprop-2-enoyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethyl 3-phenylprop-2-enoateFormula:
C46H58O11Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C=Cc3ccccc3)C3(C)C(O)(C(C)OC(=O)C=Cc5ccccc5)CCC43O)C2)OC(C)C1OAglycone:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 786.96 | Num_heavy_atoms: | 57 |
| TPSA: | 161.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD53857
Formula: C39H46O8
Smiles:
CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.49 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 642.79 | Num_heavy_atoms: | 47 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
