Glycoside
GD026988
Name:
NoneFormula:
C32H47O9N3Smiles:
C[C@@]12CC[C@H](n3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12OAglycone:
CC12CCC(n3cc(CO)nn3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 617.74 | Num_heavy_atoms: | 44 |
| TPSA: | 176.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD17763
Formula: C26H37O4N3
Smiles:
CC12CCC(n3cc(CO)nn3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 455.6 | Num_heavy_atoms: | 33 |
| TPSA: | 97.47 | NumAromaticRings: | 1 |
