Glycoside
GD136416
Name:
NoneFormula:
C73H131O29N3Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(O)C(N=C(O)COC4OC(C)C(O)C(O)C4O)C(C(O)C(O)CO)O3)C(N=C(C)O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C=CCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCC(C)CC.COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(N=C(C)O)C(C(O)C(O)CO)O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 0.9 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 54 |
| MolWt: | 1514.84 | Num_heavy_atoms: | 105 |
| TPSA: | 529.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD45733
Formula: C23H38O18N2
Smiles:
COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(N=C(C)O)C(C(O)C(O)CO)O1| HBA: | 20 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.83 |
| AlogP: | -5.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 630.55 | Num_heavy_atoms: | 43 |
| TPSA: | 338.54 | NumAromaticRings: | 0 |
AD51848
Formula: C39H77O3N
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCC(C)CC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 12.21 | Num_rotatable_bonds: | 34 |
| MolWt: | 608.05 | Num_heavy_atoms: | 43 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
