Glycoside
GD005929
Name:
NoneFormula:
C48H73O13NSmiles:
CCC(C)[C@@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](N)[C@H](C)O4)[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(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.COC1CC(O)OC(C)C1NSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 872.11 | Num_heavy_atoms: | 62 |
| TPSA: | 175.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD00521
Formula: C34H48O8
Smiles:
CCC(C)C1OC2(C=CC1C)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: | 0.68 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 584.75 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
AD04961
Formula: C7H15O3N
Smiles:
COC1CC(O)OC(C)C1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.2 | Num_heavy_atoms: | 11 |
| TPSA: | 64.71 | NumAromaticRings: | 0 |
