Glycoside
GD122133
Name:
1-[1,3a,3b-trihydroxy-7-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-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 pyridine-3-carboxylateFormula:
C50H67O14NSmiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5(O)C4CC(OC(=O)C=Cc4ccccc4)C4(C)C(O)(C(C)OC(=O)c6cccnc6)CCC54O)C3)CC2OC)OC(C)C1OAglycone:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.66 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 906.08 | Num_heavy_atoms: | 65 |
| TPSA: | 201.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD05054
Formula: C36H43O8N
Smiles:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 617.74 | Num_heavy_atoms: | 45 |
| TPSA: | 146.41 | NumAromaticRings: | 2 |
