Glycoside
GD019042
Name:
Jadomycin DnvFormula:
C29H29O9NSmiles:
CCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O[C@@H]5C[C@H](O)[C@H](O)[C@H](C)O5)cccc4C3=O)N12Aglycone:
CCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N12Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 535.55 | Num_heavy_atoms: | 39 |
| TPSA: | 142.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD13341
Formula: C23H19O6N
Smiles:
CCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N12| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 405.41 | Num_heavy_atoms: | 30 |
| TPSA: | 104.14 | NumAromaticRings: | 2 |
