Glycoside
GD002111
Name:
Jadomycin DnlFormula:
C30H31O9NSmiles:
CCCC[C@@H]1C(=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)N21Aglycone:
CCCCC1C(=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: | 0.43 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 549.58 | Num_heavy_atoms: | 40 |
| TPSA: | 142.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD02045
Formula: C24H21O6N
Smiles:
CCCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N12| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 419.43 | Num_heavy_atoms: | 31 |
| TPSA: | 104.14 | NumAromaticRings: | 2 |
