Glycoside
GD018031
Name:
NoneFormula:
C110H171O37N14Smiles:
C[N+]1=C(C=CC=C2N(CCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CCCCNC(=O)[C@H](COCc3ccc(C(=O)c4ccccc4)cc3)NC(=O)CCC(=O)NCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)NC(=O)[C@H](CCCCNC(=O)CCC(=O)NCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)NC(=O)CCC(=O)NCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CCC2(C)C)C(C)(C)c2ccccc21Aglycone:
C[N+]1=C(C=CC=C2N(CCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)C(CCCCNC(=O)C(COCc3ccc(C(=O)c4ccccc4)cc3)NC(=O)CCC(=O)NCCO)NC(=O)C(CCCCNC(=O)CCC(=O)NCCO)NC(=O)CCC(=O)NCCO)CCC2(C)C)C(C)(C)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 51 | RingCount: | 8 |
| HBD: | 24 | FractionCSP3: | 0.67 |
| AlogP: | -4.24 | Num_rotatable_bonds: | 79 |
| MolWt: | 2281.64 | Num_heavy_atoms: | 161 |
| TPSA: | 726.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00134
Formula: C92H141O22N14
Smiles:
C[N+]1=C(C=CC=C2N(CCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)C(CCCCNC(=O)C(COCc3ccc(C(=O)c4ccccc4)cc3)NC(=O)CCC(=O)NCCO)NC(=O)C(CCCCNC(=O)CCC(=O)NCCO)NC(=O)CCC(=O)NCCO)CCC2(C)C)C(C)(C)c2ccccc21| HBA: | 36 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.61 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 70 |
| MolWt: | 1795.22 | Num_heavy_atoms: | 128 |
| TPSA: | 488.59 | NumAromaticRings: | 3 |
