Glycoside
GD022383
Name:
NoneFormula:
C38H67O12NSmiles:
CCC1OC(=O)C(C)C(O[C@@H]2C[C@@](C)(OC)[C@H](O)C(C)O2)C(C)[C@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 729.95 | Num_heavy_atoms: | 51 |
| TPSA: | 165.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD15179
Formula: C30H53O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 571.75 | Num_heavy_atoms: | 40 |
| TPSA: | 138.15 | NumAromaticRings: | 0 |
