Glycoside
GD014291
Name:
LANDOMYCIN QFormula:
C37H42O13Smiles:
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](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(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.51 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 694.73 | Num_heavy_atoms: | 50 |
| TPSA: | 190.67 | 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 |
