Glycoside
GD012368
Name:
ArenimycinFormula:
C33H33O14NSmiles:
COC(=O)c1c(C)cc2c(c1O)[C@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@@]1(OC)CC2)C(=O)C=C(N[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OC)C4=OAglycone:
COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)CC2)C(=O)C=C(N)C4=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 667.62 | Num_heavy_atoms: | 48 |
| TPSA: | 235.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD09341
Formula: C26H21O10N
Smiles:
COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)CC2)C(=O)C=C(N)C4=O| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 507.45 | Num_heavy_atoms: | 37 |
| TPSA: | 190.52 | NumAromaticRings: | 2 |
