Glycoside
GD126935
Name:
Tianchimycin BFormula:
C28H44O8Smiles:
CC1CC(O)(C(C)O)C(O)C(OC2C(C)C=CC(=O)OC(C)C(C)C=CC=CC(=O)C(C)CC2C)O1Aglycone:
CC1CC(C)C(O)C(C)C=CC(=O)OC(C)C(C)C=CC=CC1=OSugarmoiety:
CC1CC(O)(C(C)O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 508.65 | Num_heavy_atoms: | 36 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD51379
Formula: C20H30O4
Smiles:
CC1CC(C)C(O)C(C)C=CC(=O)OC(C)C(C)C=CC=CC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
