Glycoside
GD136622
Name:
1-acetyl-1,3a,3b,11-tetrahydroxy-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-10-yl benzoateFormula:
C42H60O14Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5(O)C4C(OC(=O)c4ccccc4)C(O)C4(C)C(O)(C(C)=O)CCC54O)C3)CC2OC)OC(C)C1OAglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(OC(=O)c3ccccc3)C(O)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 788.93 | Num_heavy_atoms: | 56 |
| TPSA: | 199.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD55237
Formula: C28H36O8
Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(OC(=O)c3ccccc3)C(O)C12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 500.59 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 1 |
