Glycoside
GD024031
Name:
DESMETHYLENEHYGROMYCIN AFormula:
C22H29O12NSmiles:
CC(=O)[C@@H]1O[C@H](Oc2ccc(C=C(C)C(=O)N[C@@H]3[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]3O)cc2O)[C@H](O)[C@H]1OAglycone:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
CC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 499.47 | Num_heavy_atoms: | 35 |
| TPSA: | 226.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD16090
Formula: C16H21O8N
Smiles:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 355.34 | Num_heavy_atoms: | 25 |
| TPSA: | 170.71 | NumAromaticRings: | 1 |
