Glycoside
GD017453
Name:
NoneFormula:
C32H45O9N3Smiles:
CC(=O)O[C@@H]1[C@@H](OC2CC[C@]3(C)C(CCC4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@@H](CN=[N+]=[N-])[C@H]1OC(C)=OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC(=O)OC1C(O)OC(CN=[N+]=[N-])C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 615.72 | Num_heavy_atoms: | 44 |
| TPSA: | 166.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD01378
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
