Glycoside
GD123111
Name:
jadomycin acetate-4ambaFormula:
C34H31O11NSmiles:
Cc1cc(O)c2c(c1)C(CC(=O)O)N(Cc1ccc(C(=O)O)cc1)C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C(CC(=O)O)N(Cc1ccc(C(=O)O)cc1)C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 629.62 | Num_heavy_atoms: | 46 |
| TPSA: | 191.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD49659
Formula: C28H21O8N
Smiles:
Cc1cc(O)c2c(c1)C(CC(=O)O)N(Cc1ccc(C(=O)O)cc1)C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 499.48 | Num_heavy_atoms: | 37 |
| TPSA: | 152.44 | NumAromaticRings: | 3 |
