Glycoside
GD143340
Name:
4-(3-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C29H42O9Smiles:
CC12CCC3C(CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C)C1C(O)C=C2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4CC(O)CCC43C)C1C(O)C=C2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.65 | Num_heavy_atoms: | 38 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53256
Formula: C23H32O4
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C)C1C(O)C=C2C1=CC(=O)OC1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
