Glycoside
GD135083
Name:
1,3a,3b,5a-tetrahydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3-phenylprop-2-enoateFormula:
C37H52O11Smiles:
COC1CC(OC2CCC3(C)C4CC(OC(=O)C=Cc5ccccc5)C5(C)C(O)(C(C)O)CCC5(O)C4(O)C=CC3(O)C2)OC(C)C1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 672.81 | Num_heavy_atoms: | 48 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD45953
Formula: C30H40O8
Smiles:
CC(O)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.64 | Num_heavy_atoms: | 38 |
| TPSA: | 147.68 | NumAromaticRings: | 1 |
