Glycoside
GD146130
Name:
l-rhodinose-l-rhodinose-l-rhodinose-l-rhodinose-beta-rhodomycinoneFormula:
C44H60O17Smiles:
CCC1(O)CC(OC2CC(O)C(OC3CCC(OC4CCC(OC5CCC(O)C(C)O5)C(C)O4)C(C)O3)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1OAglycone:
CC1OC(OC2CCC(OC3CCC(O)OC3C)OC2C)CCC1O.CCC1(O)CC(O)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 860.95 | Num_heavy_atoms: | 61 |
| TPSA: | 249.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD16272
Formula: C18H32O7
Smiles:
CC1OC(OC2CCC(OC3CCC(O)OC3C)OC2C)CCC1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.45 | Num_heavy_atoms: | 25 |
| TPSA: | 86.61 | NumAromaticRings: | 0 |
AD48740
Formula: C20H20O8
Smiles:
CCC1(O)CC(O)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.37 | Num_heavy_atoms: | 28 |
| TPSA: | 155.52 | NumAromaticRings: | 1 |
