Glycoside
GD154276
Name:
1,3a,3b-trihydroxy-7-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl benzoateFormula:
C41H60O13Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5(O)C4CC(OC(=O)c4ccccc4)C4(C)C(O)(C(C)O)CCC54O)C3)OC2C)OC(C)C1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 760.92 | Num_heavy_atoms: | 54 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD51511
Formula: C28H38O7
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 486.61 | Num_heavy_atoms: | 35 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
