Glycoside
GD020061
Name:
NoneFormula:
C45H71O14NSmiles:
C[C@@H]1[C@H](O)[C@H](CO)O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6C[C@](C)(CNCC(=O)O)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@H](C(=O)O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
CC1(CNCC(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1C(O)C(CO)OC(OC2C(O)OC(C(=O)O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 850.06 | Num_heavy_atoms: | 60 |
| TPSA: | 241.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD13908
Formula: C32H51O4N
Smiles:
CC1(CNCC(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 513.76 | Num_heavy_atoms: | 37 |
| TPSA: | 86.63 | NumAromaticRings: | 0 |
