Glycoside
GD124519
Name:
N-[2-({11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideFormula:
C26H35O7NSmiles:
CC(O)=NC1C(Oc2ccc3c(c2)CCC2C3CCC3(C)C(=O)CCC23)OC(CO)C(O)C1OAglycone:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 473.57 | Num_heavy_atoms: | 34 |
| TPSA: | 128.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD18025
Formula: C18H22O2
Smiles:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.37 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
