Glycoside
GD031024
Name:
GALARUBICINFormula:
C30H32O13NFSmiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)COC(=O)CCN)C[C@H]3O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1FAglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCN)CC3OSugarmoiety:
CC1OC(O)C(F)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 633.58 | Num_heavy_atoms: | 45 |
| TPSA: | 232.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD20033
Formula: C24H23O10N
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCN)CC3O| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.45 | Num_heavy_atoms: | 35 |
| TPSA: | 193.68 | NumAromaticRings: | 2 |
