Glycoside
GD147143
Name:
l-cinerulose-2-deoxy-l-fucose- l-rhodinose-beta-rhodomycinoneFormula:
C38H48O15Smiles:
CCC1(O)CC(OC2CCC(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1OAglycone:
CC1OC(O)CCC1=O.CCC1(O)CC(OC2CCC(O)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 744.79 | Num_heavy_atoms: | 53 |
| TPSA: | 227.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD00014
Formula: C6H10O3
Smiles:
CC1OC(O)CCC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD58935
Formula: C26H30O10
Smiles:
CCC1(O)CC(OC2CCC(O)C(C)O2)C2=C(O)C3C(=O)c4c(O)cccc4C(=O)C3C(O)=C2C1O| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.52 | Num_heavy_atoms: | 36 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
