Glycoside
GD129008
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,2'-piperidin]-18-en-10-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H63O12NSmiles:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(O)C3(C)C1C2CAglycone:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 737.93 | Num_heavy_atoms: | 52 |
| TPSA: | 199.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD47877
Formula: C27H43O3N
Smiles:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 429.65 | Num_heavy_atoms: | 31 |
| TPSA: | 61.72 | NumAromaticRings: | 0 |
