Glycoside
GD154122
Name:
3'-HydroxydianemycinFormula:
C47H78O15Smiles:
CCC=C(CC1(C)COC2(CCC(C)(C3CC(OC4CC(O)C(OC)C(C)O4)C(C)C4(OC(C5OC(O)(CO)C(C)CC5C)CC4C)O3)O2)CC1O)C(=O)C(C)CC(C)C(=O)OAglycone:
CCC=C(CC1(C)COC2(CCC(C)(C3CC(O)C(C)C4(OC(C5OC(O)(CO)C(C)CC5C)CC4C)O3)O2)CC1O)C(=O)C(C)CC(C)C(=O)OSugarmoiety:
COC1C(O)CC(O)OC1COther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 14 |
| MolWt: | 883.13 | Num_heavy_atoms: | 62 |
| TPSA: | 209.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD61255
Formula: C40H66O12
Smiles:
CCC=C(CC1(C)COC2(CCC(C)(C3CC(O)C(C)C4(OC(C5OC(O)(CO)C(C)CC5C)CC4C)O3)O2)CC1O)C(=O)C(C)CC(C)C(=O)O| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 738.96 | Num_heavy_atoms: | 52 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
