Glycoside
GD115260
Name:
GutingimycinFormula:
C47H57O21N5Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(OC1CC(O)C(O)(C(C)=O)C(C)O1)(O4)C3(O)Cn1cnc3[nH]c(=N)nc(O)c31)C(=O)C(O)CC2OC1CC(C)(O)C(OC(C)=O)C(C)O1Aglycone:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C3(O)Cn1cnc3[nH]c(=N)nc(O)c31)C(=O)C(O)CC2OSugarmoiety:
CC(=O)C1(O)C(O)CC(O)OC1C.CC(=O)OC1C(C)OC(O)CC1(C)OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 10 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 1027.99 | Num_heavy_atoms: | 73 |
| TPSA: | 364.7 | NumAromaticRings: | 4 |
Unique Aglycone
AD45557
Formula: C30H31O13N5
Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C3(O)Cn1cnc3[nH]c(=N)nc(O)c31)C(=O)C(O)CC2O| HBA: | 18 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 669.6 | Num_heavy_atoms: | 48 |
| TPSA: | 264.18 | NumAromaticRings: | 4 |
