Glycoside
GD012162
Name:
NoneFormula:
C49H66O12NClSmiles:
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)Nc4ccc(Cl)cc4)[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)Nc1ccc(Cl)cc1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 7.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 884.5 | Num_heavy_atoms: | 62 |
| TPSA: | 160.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD00907
Formula: C8H6O2NCl
Smiles:
O=C(O)Nc1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.58 | Num_heavy_atoms: | 11 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
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 |
