Glycoside
GD139331
Name:
Demethylolivomycin BFormula:
C55H78O26Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(OC(C)=O)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1Aglycone:
O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1OSugarmoiety:
CC(=O)OC1C(C)OC(O)CC1OC1CC(O)C(O)C(C)O1.CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 17 |
| MolWt: | 1155.2 | Num_heavy_atoms: | 81 |
| TPSA: | 370.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD00371
Formula: C14H12O5
Smiles:
O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
Sugarmoiety
SD07578
CC(=O)OC1C(C)OC(O)CC1OC1CC(O)C(O)C(C)O1.CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.COC(O)C(=O)C(O)C(C)O