Glycoside
GD014641
Name:
LANDOMYCIN WFormula:
C49H62O19Smiles:
Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O[C@@H]2C[C@H](O)[C@H](O[C@@H]4C[C@H](O[C@@H]5CC[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[C@H](O)[C@H](C)O7)[C@H](C)O6)[C@H](C)O5)[C@H](O)[C@H](C)O4)[C@H](C)O2)ccc(O)c1C3=OAglycone:
CC1OC(O)CCC1O.Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O)ccc(O)c1C3=OSugarmoiety:
CC1OC(OC2CC(OC3C(O)CC(O)OC3C)OC(C)C2O)CCC1OC1CC(O)C(O)C(C)O1.OOOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 955.02 | Num_heavy_atoms: | 68 |
| TPSA: | 268.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD09541
Formula: C19H12O5
Smiles:
Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O)ccc(O)c1C3=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 320.3 | Num_heavy_atoms: | 24 |
| TPSA: | 94.83 | NumAromaticRings: | 3 |
