Glycoside
GD124925
Name:
2-[(2,6-dihydroxy-3-{[8-hydroxy-4,8a,11-tris(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-5-methylcyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H70O13Smiles:
CC1CC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(CO)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1CC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(CO)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 795.02 | Num_heavy_atoms: | 56 |
| TPSA: | 229.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD50503
Formula: C37H60O8
Smiles:
CC1CC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(CO)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(O)C1O| HBA: | 8 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
