Glycoside

GD021645
Name:
Aldgamycin LFormula:
C36H60O13Smiles:
CO[C@@H]1[C@H](OC[C@@H]2C=CCCC(=O)[C@H](C)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@](O)([C@H](C)O)[C@H]3O)[C@H](C)C=CC(=O)O[C@H]2C)O[C@H](C)[C@H](O)[C@H]1OCAglycone:
CC1CC(C)C(O)C(C)C=CC(=O)OC(C)C(CO)C=CCCC1=OSugarmoiety:
CC1CC(O)(C(C)O)C(O)C(O)O1.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
HBA: | 13 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.83 |
AlogP: | 2.45 | Num_rotatable_bonds: | 8 |
MolWt: | 700.86 | Num_heavy_atoms: | 49 |
TPSA: | 179.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD14762
Formula: C20H32O5
Smiles:
CC1CC(C)C(O)C(C)C=CC(=O)OC(C)C(CO)C=CCCC1=OHBA: | 5 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.7 |
AlogP: | 2.66 | Num_rotatable_bonds: | 1 |
MolWt: | 352.47 | Num_heavy_atoms: | 25 |
TPSA: | 83.83 | NumAromaticRings: | 0 |