Glycoside
GD151746
Name:
Gavibamycin B3Formula:
C60H90O32Smiles:
COCC1OC(OC2OCC3OC4(OC3C2OC(=O)C(C)C)OC(C)C(O)(C(C)O)C2OCOC24)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3(C)OC4(CC(O)C(OC5CC(O)C(OC(=O)c6c(C)cc(O)cc6O)C(C)O5)C(C)O4)OC3C(C)O2)C1OAglycone:
CC(C)C(=O)OC1C(O)OCC2OC3(OC21)OC(C)C(O)(C(C)O)C1OCOC13.CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2.Cc1cc(O)cc(O)c1C(=O)OSugarmoiety:
CC1OC(O)CC(O)C1O.COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 11 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 17 |
| MolWt: | 1323.35 | Num_heavy_atoms: | 92 |
| TPSA: | 399.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD13208
Formula: C8H8O4
Smiles:
Cc1cc(O)cc(O)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD23887
Formula: C13H22O7
Smiles:
CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 290.31 | Num_heavy_atoms: | 20 |
| TPSA: | 97.61 | NumAromaticRings: | 0 |
AD23893
Formula: C18H28O11
Smiles:
CC(C)C(=O)OC1C(O)OCC2OC3(OC21)OC(C)C(O)(C(C)O)C1OCOC13| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.41 | Num_heavy_atoms: | 29 |
| TPSA: | 142.37 | NumAromaticRings: | 0 |
