Glycoside
GD149292
Name:
6-[1-(9-hydroxy-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-(2-hydroxyethyl)-4-methyl-5,6-dihydro-2H-pyran-2-oneFormula:
C35H54O10Smiles:
CC1=C(CCO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(CCO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD59707
Formula: C29H44O5
Smiles:
CC1=C(CCO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
