Glycoside
GD143732
Name:
1-{1,3a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methoxyethan-1-oneFormula:
C29H46O8Smiles:
COCC(=O)C1(O)CCC2(O)C3CC=C4CC(OC5CC(OC)C(O)C(C)O5)CCC4(C)C3CCC12CAglycone:
COCC(=O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.68 | Num_heavy_atoms: | 37 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45664
Formula: C22H34O5
Smiles:
COCC(=O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.51 | Num_heavy_atoms: | 27 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
