Glycoside

GD002778
Name:
Spiramycin IiFormula:
C45H76O15N2Smiles:
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@H](N(C)C)[C@H]1OAglycone:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
HBA: | 17 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.84 |
AlogP: | 2.9 | Num_rotatable_bonds: | 12 |
MolWt: | 885.1 | Num_heavy_atoms: | 62 |
TPSA: | 201.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD02611
Formula: C30H49O9N
Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OHBA: | 10 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.77 |
AlogP: | 3.2 | Num_rotatable_bonds: | 7 |
MolWt: | 567.72 | Num_heavy_atoms: | 40 |
TPSA: | 120.83 | NumAromaticRings: | 0 |