Glycoside
GD144115
Name:
Respinomycin-A2Formula:
C43H58O15N2Smiles:
COC1Cc2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)(N)C(OC5OC(C)C(O)C(C)(O)C5OC)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)OAglycone:
COC1Cc2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)(N)C(O)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)OSugarmoiety:
COC1C(O)OC(C)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 842.94 | Num_heavy_atoms: | 60 |
| TPSA: | 238.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD57932
Formula: C35H44O11N2
Smiles:
COC1Cc2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)(N)C(O)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)O| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 668.74 | Num_heavy_atoms: | 48 |
| TPSA: | 190.47 | NumAromaticRings: | 2 |
