Glycoside
GD121312
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H42O7Smiles:
CC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1OAglycone:
CC12CCC(O)CC1=CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.65 | Num_heavy_atoms: | 36 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD44434
Formula: C23H32O4
Smiles:
CC12CCC(O)CC1=CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
