Glycoside
GD000616
Name:
ChalcomycinFormula:
C35H56O14Smiles:
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC[C@@H]2[C@@H]3O[C@H]3C=CC(=O)[C@@](C)(O)C[C@@H](C)[C@H](O[C@H]3O[C@@H](C)C[C@@H](OC)[C@@H]3O)[C@H](C)C=CC(=O)O[C@@H]2C)[C@@H]1OCAglycone:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CC(C)C1OSugarmoiety:
COC1C(O)OC(C)C(O)C1OC.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 700.82 | Num_heavy_atoms: | 49 |
| TPSA: | 181.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD00673
Formula: C20H30O7
Smiles:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CC(C)C1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 382.45 | Num_heavy_atoms: | 27 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
