Glycoside
GD142647
Name:
NoneFormula:
C88H158O42N4Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(O)COC4(C(=O)O)CC(O)C(N=C(O)COC5(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(CO)OC)O5)C(C(O)C(O)CO)O4)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC.COC(CO)C(O)C1OC(OCC(O)=NC2C(O)CC(OCC(O)=NC3C(O)CC(O)(C(=O)O)OC3C(O)C(O)CO)(C(=O)O)OC2C(O)C(O)CO)(C(=O)O)CC(O)C1N=C(O)COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 46 | RingCount: | 5 |
| HBD: | 28 | FractionCSP3: | 0.92 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 70 |
| MolWt: | 1944.22 | Num_heavy_atoms: | 134 |
| TPSA: | 768.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD45255
Formula: C42H85O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.69 | Num_rotatable_bonds: | 39 |
| MolWt: | 684.14 | Num_heavy_atoms: | 48 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
AD49970
Formula: C34H55O28N3
Smiles:
COC(CO)C(O)C1OC(OCC(O)=NC2C(O)CC(OCC(O)=NC3C(O)CC(O)(C(=O)O)OC3C(O)C(O)CO)(C(=O)O)OC2C(O)C(O)CO)(C(=O)O)CC(O)C1N=C(O)CO| HBA: | 31 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.82 |
| AlogP: | -9.43 | Num_rotatable_bonds: | 23 |
| MolWt: | 953.81 | Num_heavy_atoms: | 65 |
| TPSA: | 528.04 | NumAromaticRings: | 0 |
