Glycoside
GD137657
Name:
Jbir-139Formula:
C85H145O36NSmiles:
CCC(OC1CCC(OC2CCC(O)C(C)O2)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1CC=CC=CC(O)CC(O)C(C)C(O)CC(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(C)C2CC(O)C(O)C(O)(CC(OC3OC(C)C(O)C(OC4CC(O)C(O)C(C)O4)C3OC3OC(C)C(O)C(O)C3O)C(C)CCC(O)CC(O)CC=CC=CC(=O)O1)O2Aglycone:
CCC(OC1CCC(OC2CCC(O)C(C)O2)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1CC=CC=CC(O)CC(O)C(C)C(O)CC(O)C(C)C2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)CC(O)CC=CC=CC(=O)O1)O2Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1O.CC1OC(OC2C(O)C(C)OC(O)C2OC2OC(C)C(O)C(O)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 37 | RingCount: | 8 |
| HBD: | 21 | FractionCSP3: | 0.88 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 21 |
| MolWt: | 1757.07 | Num_heavy_atoms: | 122 |
| TPSA: | 583.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD09714
Formula: C59H102O20
Smiles:
CCC(OC1CCC(OC2CCC(O)C(C)O2)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1CC=CC=CC(O)CC(O)C(C)C(O)CC(O)C(C)C2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)CC(O)CC=CC=CC(=O)O1)O2| HBA: | 20 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.85 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 1131.45 | Num_heavy_atoms: | 79 |
| TPSA: | 335.44 | NumAromaticRings: | 0 |
