Glycoside
GD140684
Name:
1-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-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)ethan-1-oneFormula:
C33H52O12Smiles:
CC(=O)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 640.77 | Num_heavy_atoms: | 45 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD48475
Formula: C21H32O2
Smiles:
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.49 | Num_heavy_atoms: | 23 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
