Glycoside
GD034201
Name:
NoneFormula:
C45H72O12N4Smiles:
CC1(C)CC[C@]2(C(=O)NCc3cn([C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 861.09 | Num_heavy_atoms: | 61 |
| TPSA: | 249.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD07073
Formula: C33H51O2N4
Smiles:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 535.8 | Num_heavy_atoms: | 39 |
| TPSA: | 88.15 | NumAromaticRings: | 0 |
