Glycoside
GD150374
Name:
2-(hydroxymethyl)-6-{[1,6,6,10,17-pentamethyl-15-(2-methylprop-1-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-14-oxapentacyclo[11.7.1.0²,¹¹.0âµ,¹â°.0¹â¸,²¹]henicosan-17-yl]oxy}oxane-3,4,5-triolFormula:
C41H68O13Smiles:
CC(C)=CC1CC(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(O1)C23Aglycone:
CC(C)=CC1CC(C)(O)C2CCC3(C)C4CCC5C(C)(C)C(O)CCC5(C)C4CC(O1)C23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD60072
Formula: C29H48O3
Smiles:
CC(C)=CC1CC(C)(O)C2CCC3(C)C4CCC5C(C)(C)C(O)CCC5(C)C4CC(O1)C23| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 444.7 | Num_heavy_atoms: | 32 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
