Glycoside
GD126512
Name:
Jadomycin OrnFormula:
C30H31O9NSmiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCN)C1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCN)C1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 549.58 | Num_heavy_atoms: | 40 |
| TPSA: | 165.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD51198
Formula: C24H21O6N
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCN)C1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 419.43 | Num_heavy_atoms: | 31 |
| TPSA: | 126.92 | NumAromaticRings: | 2 |
