Glycoside
GD030713
Name:
NoneFormula:
C47H80O11N2Smiles:
CCN(CC)CCNC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2Aglycone:
CCN(CC)CCNC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 11 |
| MolWt: | 849.16 | Num_heavy_atoms: | 60 |
| TPSA: | 190.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD19860
Formula: C36H62O3N2
Smiles:
CCN(CC)CCNC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 6.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.9 | Num_heavy_atoms: | 41 |
| TPSA: | 72.8 | NumAromaticRings: | 0 |
