Glycoside
GD149199
Name:
Jadomycin DabaFormula:
C29H29O9NSmiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCN)C1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCN)C1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 535.55 | Num_heavy_atoms: | 39 |
| TPSA: | 165.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD59663
Formula: C23H19O6N
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCN)C1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 405.41 | Num_heavy_atoms: | 30 |
| TPSA: | 126.92 | NumAromaticRings: | 2 |
