Glycoside
GD114460
Name:
d-olivosyl-jadomycin-metFormula:
C30H31O9NSSmiles:
CSCCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(OC5CC(O)C(O)C(C)O5)cccc4C3=O)N12Aglycone:
CSCCCC1C(=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: | 3.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 581.64 | Num_heavy_atoms: | 41 |
| TPSA: | 142.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD45072
Formula: C24H21O6NS
Smiles:
CSCCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N12| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 451.5 | Num_heavy_atoms: | 32 |
| TPSA: | 104.14 | NumAromaticRings: | 2 |
