Glycoside
GD123343
Name:
Altromycin FFormula:
C47H59O17NSmiles:
COC(=O)C(c1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N(C)C)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)c1O)C2=O)C1OC(C)C(O)C(OC)C1OAglycone:
COC(=O)Cc1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N(C)C)C(O)C(C)O3)c1O)C2=OSugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 909.98 | Num_heavy_atoms: | 65 |
| TPSA: | 242.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD49766
Formula: C33H35O10N
Smiles:
COC(=O)Cc1cc2c(c3oc(C4(C)OC4C)cc(=O)c13)C(=O)c1c(ccc(C3CC(C)(N(C)C)C(O)C(C)O3)c1O)C2=O| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 605.64 | Num_heavy_atoms: | 44 |
| TPSA: | 156.11 | NumAromaticRings: | 3 |
