Glycoside
GD143487
Name:
l-rhodinose-l-rhodinose-2-deoxy-l-fucose -beta-rhodomycinoneFormula:
C38H50O13Smiles:
CCC1(O)CC2=C(O)C3C(=O)c4cccc(O)c4C(=O)C3C(O)=C2C(OC2CC(O)C(OC3CCC(OC4CCCC(C)O4)C(C)O3)C(C)O2)C1Aglycone:
CC1CCCC(OC2CCC(O)OC2C)O1.CCC1(O)CC2=C(O)C3C(=O)c4cccc(O)c4C(=O)C3C(O)=C2C(O)C1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 714.8 | Num_heavy_atoms: | 51 |
| TPSA: | 190.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD45797
Formula: C20H20O7
Smiles:
CCC1(O)CC2=C(O)C3C(=O)c4cccc(O)c4C(=O)C3C(O)=C2C(O)C1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 135.29 | NumAromaticRings: | 1 |
AD57709
Formula: C12H22O4
Smiles:
CC1CCCC(OC2CCC(O)OC2C)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.3 | Num_heavy_atoms: | 16 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
