Glycoside
GD130342
Name:
Obtusine-20(R)-O-[Beta-Thevetopyranosyl-(1-4)-Beta-CymaropyranosideFormula:
C38H63O12NSmiles:
COC1CC(OC(C)C2(O)C3NC(C)(O)COC3C3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC(C)C1OC1OC(C)C(O)C(OC)C1OAglycone:
CC(O)C1(O)C2NC(C)(O)COC2C2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 725.92 | Num_heavy_atoms: | 51 |
| TPSA: | 177.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD52817
Formula: C24H39O5N
Smiles:
CC(O)C1(O)C2NC(C)(O)COC2C2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 421.58 | Num_heavy_atoms: | 30 |
| TPSA: | 102.18 | NumAromaticRings: | 0 |
