Glycoside
GD129776
Name:
2-(3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)propanalFormula:
C37H60O12Smiles:
CC(C=O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12CAglycone:
CC(C=O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 696.88 | Num_heavy_atoms: | 49 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD52575
Formula: C25H40O2
Smiles:
CC(C=O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 372.59 | Num_heavy_atoms: | 27 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
