Glycoside
GD129909
Name:
Sipanmycin BFormula:
C47H73O8N3Smiles:
CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(OC2OCC(OC3CC(C)(O)C(N(C)C)C(C)O3)C(O)C2N)C=CC=CC(C)=CC=CC(C)=CCC(C)N=C1OAglycone:
CC1OC(O)CC(C)(O)C1N(C)C.CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=CC(C)=CC=CC(C)=CCC(C)N=C1OSugarmoiety:
NC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 7.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 808.11 | Num_heavy_atoms: | 58 |
| TPSA: | 159.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD51972
Formula: C33H47O3N
Smiles:
CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=CC(C)=CC=CC(C)=CCC(C)N=C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 7.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 505.74 | Num_heavy_atoms: | 37 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
AD52629
Formula: C9H19O3N
Smiles:
CC1OC(O)CC(C)(O)C1N(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 189.25 | Num_heavy_atoms: | 13 |
| TPSA: | 52.93 | NumAromaticRings: | 0 |
