Glycoside
GD139381
Name:
NoneFormula:
C85H152O38N4Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(O)C(N=C(O)COC4(C(=O)O)CC(OC5OC(C)C(O)C(O)C5O)C(N=C(C)O)C(C(O)C(O)CO)O4)C(C(O)C(O)CO)C3)C(N=C(C)O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCC(C)CC.COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)COC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C(C(O)C(O)CO)C2)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: | 42 | RingCount: | 5 |
| HBD: | 26 | FractionCSP3: | 0.92 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 62 |
| MolWt: | 1838.14 | Num_heavy_atoms: | 127 |
| TPSA: | 709.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD50488
Formula: C39H79O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCC(C)CC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.38 | Num_rotatable_bonds: | 35 |
| MolWt: | 642.06 | Num_heavy_atoms: | 45 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
AD56202
Formula: C35H57O25N3
Smiles:
COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)COC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C(C(O)C(O)CO)C2)C(N=C(C)O)C(C(O)C(O)CO)O1| HBA: | 28 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.83 |
| AlogP: | -6.71 | Num_rotatable_bonds: | 21 |
| MolWt: | 919.84 | Num_heavy_atoms: | 63 |
| TPSA: | 478.35 | NumAromaticRings: | 0 |
