Glycoside
GD019616
Name:
NoneFormula:
C45H72O14N2Smiles:
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)NCC(=O)NCC(=O)O)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)NCC(=O)NCC(=O)O)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: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 865.07 | Num_heavy_atoms: | 61 |
| TPSA: | 253.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD13671
Formula: C34H54O6N2
Smiles:
CC1(C)CCC2(C(=O)NCC(=O)NCC(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 586.81 | Num_heavy_atoms: | 42 |
| TPSA: | 135.96 | NumAromaticRings: | 0 |
