Glycoside
GD131827
Name:
4-{7-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C35H52O11Smiles:
CC1OC(OC2C=C3CCC4C(CCC5(C)C(C6=CC(=O)OC6)CCC45)C3(C)CC2)CC(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12Sugarmoiety:
CC1OC(O)CC(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD53390
Formula: C23H32O3
Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 356.51 | Num_heavy_atoms: | 26 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
