Glycoside
GD001658
Name:
L-Rhodinose-L-Rhodinose-2-Deoxy-L-Fucose -Î’-RhodomycinoneFormula:
C38H48O15Smiles:
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]4CC[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(OC2CCC(O)OC2C)CCC1O.CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 744.79 | Num_heavy_atoms: | 53 |
| TPSA: | 231.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD01640
Formula: C12H22O5
Smiles:
CC1OC(OC2CCC(O)OC2C)CCC1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.3 | Num_heavy_atoms: | 17 |
| TPSA: | 68.15 | 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 |
