Glycoside
GD131857
Name:
NoneFormula:
C68H130O23N2P2Smiles:
CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(COC2OC(CO)C(OP(=O)(O)O)C(OC(=O)CC(O)CCCCCCCCCCC)C2N=C(O)CC(O)CCCCCCCCCCC)OC(OP(=O)(O)O)C1N=C(O)CC(O)CCCCCCCCCCCAglycone:
CCCCCCCCCCCC(O)CC(=N)O.CCCCCCCCCCCC(O)CC(=N)O.CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(O)CC(=O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | 12.55 | Num_rotatable_bonds: | 60 |
| MolWt: | 1405.73 | Num_heavy_atoms: | 95 |
| TPSA: | 400.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00507
Formula: C14H28O3
Smiles:
CCCCCCCCCCCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD48216
Formula: C14H29O2N
Smiles:
CCCCCCCCCCCC(O)CC(=N)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 243.39 | Num_heavy_atoms: | 17 |
| TPSA: | 64.31 | NumAromaticRings: | 0 |
