Glycoside
GD125688
Name:
Sipanmycin AFormula:
C45H69O7N3Smiles:
CC1=CC=CC(C)=CCC(C)N=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(OC2OCC(OC3CCC(N(C)C)C(C)O3)C(O)C2N)C=CC=C1Aglycone:
CC1=CC=CC(C)=CCC(C)N=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=C1.CC1OC(O)CCC1N(C)CSugarmoiety:
NC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 7.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 764.06 | Num_heavy_atoms: | 55 |
| TPSA: | 139.23 | NumAromaticRings: | 0 |
Unique Aglycone
AD46256
Formula: C32H45O3N
Smiles:
CC1=CC=CC(C)=CCC(C)N=C(O)C(CC(C)C)=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 7.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 491.72 | Num_heavy_atoms: | 36 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
AD50032
Formula: C8H17O2N
Smiles:
CC1OC(O)CCC1N(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.23 | Num_heavy_atoms: | 11 |
| TPSA: | 32.7 | NumAromaticRings: | 0 |
