Glycoside
GD149029
Name:
d-olivosyl-jadomycin-serFormula:
C28H27O10NSmiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCO)N1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCO)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 537.52 | Num_heavy_atoms: | 39 |
| TPSA: | 163.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD59599
Formula: C22H17O7N
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCO)N1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 407.38 | Num_heavy_atoms: | 30 |
| TPSA: | 124.37 | NumAromaticRings: | 2 |
