Glycoside
GD149531
Name:
Shengjimycin C1Formula:
C48H80O16N2Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(N(C)C)C2O)C1OCAglycone:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(O)C2N(C)C)CC1(C)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 14 |
| MolWt: | 941.17 | Num_heavy_atoms: | 66 |
| TPSA: | 207.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD49952
Formula: C31H51O9N
Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)C1OC| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 581.75 | Num_heavy_atoms: | 41 |
| TPSA: | 120.83 | NumAromaticRings: | 0 |
