Glycoside
GD144814
Name:
Urdamycin BFormula:
C37H44O13Smiles:
CC1OC(OC2CC(c3ccc4c(c3O)C(=O)c3ccc5c(c3C4=O)C(=O)CC(C)(O)C5)OC(C)C2O)CCC1OC1CC(O)C(O)C(C)O1Aglycone:
CC1OC(OC2CC(c3ccc4c(c3O)C(=O)c3ccc5c(c3C4=O)C(=O)CC(C)(O)C5)OC(C)C2O)CCC1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 696.75 | Num_heavy_atoms: | 50 |
| TPSA: | 198.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD58167
Formula: C31H34O10
Smiles:
CC1OC(OC2CC(c3ccc4c(c3O)C(=O)c3ccc5c(c3C4=O)C(=O)CC(C)(O)C5)OC(C)C2O)CCC1O| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 566.6 | Num_heavy_atoms: | 41 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
