Glycoside
GD017632
Name:
NoneFormula:
C44H71O11NSmiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)NC6CC6)CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)NC3CC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 790.05 | Num_heavy_atoms: | 56 |
| TPSA: | 187.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD12567
Formula: C33H53O3N
Smiles:
CC1(C)CCC2(C(=O)NC3CC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 6.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 511.79 | Num_heavy_atoms: | 37 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
