Glycoside
GD009017
Name:
NoneFormula:
C45H72O13N4Smiles:
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)[C@H](O)C[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)C(O)CC3(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: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 877.09 | Num_heavy_atoms: | 62 |
| TPSA: | 269.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD06745
Formula: C33H51O3N4
Smiles:
CC1(C)CCC2(C(=O)NCC3=C[N]N=N3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 551.8 | Num_heavy_atoms: | 40 |
| TPSA: | 108.38 | NumAromaticRings: | 0 |
