Glycoside
GD009014
Name:
L-Rhodinose-2-Deoxy-L-Fucose-2-Deoxy-L-Fucose-10-Decarbomethoxy-Ε-RhodomycinoneFormula:
C38H48O15Smiles:
CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](O)[C@H](O[C@@H]4C[C@H](O)[C@H](O[C@@H]5CC[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=OAglycone:
CC1OC(O)CCC1O.CCC1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 744.79 | Num_heavy_atoms: | 53 |
| TPSA: | 231.13 | 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 |
AD07123
Formula: C20H18O7
Smiles:
CCC1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
