Glycoside
GD134648
Name:
d-olivosyl-jadomycin-hisFormula:
C31H29O9N3Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCc3cnc[nH]3)N1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCc3cnc[nH]3)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 587.59 | Num_heavy_atoms: | 43 |
| TPSA: | 171.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD54465
Formula: C25H19O6N3
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCc3cnc[nH]3)N1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 457.44 | Num_heavy_atoms: | 34 |
| TPSA: | 132.82 | NumAromaticRings: | 3 |
