Glycoside
GD034803
Name:
L-Rhodinose-2-Deoxy-L-Fucose-L-Rhodinose-Ε-RhodomycinoneFormula:
C40H50O16Smiles:
CC[C@]1(O)C[C@H](O[C@@H]2CC[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=OAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(OC2CCC(O)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 786.82 | Num_heavy_atoms: | 56 |
| TPSA: | 237.2 | 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 |
AD22083
Formula: C28H30O11
Smiles:
CCC1(O)CC(OC2CCC(O)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 542.54 | Num_heavy_atoms: | 39 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
