Glycoside
GD114381
Name:
1-[1,3a,3b-trihydroxy-7-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-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-methylbutanoateFormula:
C48H70O14Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5(O)C4CC(OC(=O)C=Cc4ccccc4)C4(C)C(O)(C(C)OC(=O)CC(C)C)CCC54O)C3)OC2C)OC(C)C1OAglycone:
CC(C)CC(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 871.07 | Num_heavy_atoms: | 62 |
| TPSA: | 199.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD45023
Formula: C35H48O8
Smiles:
CC(C)CC(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.66 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.76 | Num_heavy_atoms: | 43 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
