Glycoside
GD117899
Name:
Chalcomycin EFormula:
C35H56O13Smiles:
COC1CC(C)OC(OC2C(C)C=CC(=O)OC(C)C(COC3OC(C)C(O)C(OC)C3OC)C=CC=CC(=O)C(C)(O)CC2C)C1OAglycone:
CC1C=CC(=O)OC(C)C(CO)C=CC=CC(=O)C(C)(O)CC(C)C1OSugarmoiety:
COC1C(O)OC(C)C(O)C1OC.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 684.82 | Num_heavy_atoms: | 48 |
| TPSA: | 168.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD19565
Formula: C20H30O6
Smiles:
CC1C=CC(=O)OC(C)C(CO)C=CC=CC(=O)C(C)(O)CC(C)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 366.45 | Num_heavy_atoms: | 26 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
