Glycoside
GD000461
Name:
Aranciamycin IFormula:
C25H26O10Smiles:
C[C@@H]1O[C@H](O[C@@H]2C[C@@](C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(O)Cc2cc3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.47 | Num_heavy_atoms: | 35 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00516
Formula: C19H16O6
Smiles:
CC1(O)Cc2cc3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 340.33 | Num_heavy_atoms: | 25 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
