Glycoside
GD143090
Name:
2-[(3,5-dihydroxy-2-methoxy-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,2'-piperidine]oxy}oxan-4-yl)oxy]oxane-3,4,5-triolFormula:
C38H63O11NSmiles:
COC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C4CC4OC5(CCC(C)CN5)C(C)C43)C2)C(O)C(OC2OCC(O)C(O)C2O)C1OAglycone:
CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
COC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 709.92 | Num_heavy_atoms: | 50 |
| TPSA: | 168.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD08743
Formula: C27H45O2N
Smiles:
CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 415.66 | Num_heavy_atoms: | 30 |
| TPSA: | 41.49 | NumAromaticRings: | 0 |
