Glycoside
GD009598
Name:
ELSAMITRUCINFormula:
C33H35O13NSmiles:
CO[C@H]1[C@H](N)[C@@H](O[C@@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@@H](C)[C@H]1OAglycone:
Cc1ccc2oc(=O)c3c(O)c4cccc(O)c4c4oc(=O)c1c2c34Sugarmoiety:
COC1C(N)C(OC2C(O)OC(C)C(O)C2(C)O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 653.64 | Num_heavy_atoms: | 47 |
| TPSA: | 213.51 | NumAromaticRings: | 5 |
Unique Aglycone
AD02915
Formula: C19H10O6
Smiles:
Cc1ccc2oc(=O)c3c(O)c4cccc(O)c4c4oc(=O)c1c2c34| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 334.28 | Num_heavy_atoms: | 25 |
| TPSA: | 100.88 | NumAromaticRings: | 5 |
