Glycoside
GD138726
Name:
6-[1-(4,9-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-oneFormula:
C34H52O11Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC(O)CC(O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 636.78 | Num_heavy_atoms: | 45 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD55968
Formula: C28H42O6
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC(O)CC(O)C5(C)C4CCC23C)C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
