Glycoside
GD117948
Name:
2-{[11-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H66O13Smiles:
CC(C)CCCC(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC(O)C21CAglycone:
CC(C)CCCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CC(O)C21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 742.94 | Num_heavy_atoms: | 52 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD47101
Formula: C27H46O3
Smiles:
CC(C)CCCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CC(O)C21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.66 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
