Glycoside
GD144228
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,2'-piperidin]-3-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H65O12NSmiles:
CC1CCC2(NC1)OC1C(O)C3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(NC1)OC1C(O)C3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 739.94 | Num_heavy_atoms: | 52 |
| TPSA: | 199.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD57974
Formula: C27H45O3N
Smiles:
CC1CCC2(NC1)OC1C(O)C3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 431.66 | Num_heavy_atoms: | 31 |
| TPSA: | 61.72 | NumAromaticRings: | 0 |
