Glycoside
GD127019
Name:
1-{2,6-dihydroxy-6-methyl-3-[(4,5,6-trihydroxy-3-methoxyoxepan-3-yl)oxy]heptan-2-yl}-3a,7,8-trihydroxy-11a-methyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C33H54O12Smiles:
COC1(OC(CCC(C)(C)O)C(C)(O)C2CCC3(O)C4=CC(=O)C5CC(O)C(O)CC5C4CCC23C)COCC(O)C(O)C1OAglycone:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4C3CCC12CSugarmoiety:
COC1(O)COCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.78 | Num_heavy_atoms: | 45 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51416
Formula: C26H42O7
Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4C3CCC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.62 | Num_heavy_atoms: | 33 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
