Glycoside
GD015533
Name:
NoneFormula:
C49H62O12NFCl2Smiles:
CCC(C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](OC(=O)c4cc(F)c(Cl)nc4Cl)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2Aglycone:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.O=C(O)c1cc(F)c(Cl)nc1ClSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 7.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 922.91 | Num_heavy_atoms: | 63 |
| TPSA: | 161.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD02409
Formula: C34H50O8
Smiles:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 586.77 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
AD11275
Formula: C8H2O2NFCl2
Smiles:
O=C(O)c1cc(F)c(Cl)nc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 209.99 | Num_heavy_atoms: | 12 |
| TPSA: | 50.19 | NumAromaticRings: | 1 |
