Glycoside
GD011521
Name:
2-Deoxy-L-Fucose-L-Rhodinose-2-Deoxy-L-Fucose-Î’-RhodomycinoneFormula:
C38H48O16Smiles:
CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](O)[C@H](O[C@@H]3CC[C@H](O[C@@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=OAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CCC1O.OOOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 760.79 | Num_heavy_atoms: | 54 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD01641
Formula: C20H18O8
Smiles:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 155.52 | NumAromaticRings: | 2 |
