Glycoside
GD004005
Name:
NoneFormula:
C34H60O38P6Smiles:
O=P(O)(O)OC1[C@H](O)[C@@H](O[C@H]2[C@H](CO)OC(OCCCc3ccc(CCCOC4O[C@H](CO)[C@H](O[C@@H]5OC(CO)[C@H](OP(=O)(O)O)C(OP(=O)(O)O)[C@H]5O)[C@H]4OP(=O)(O)O)cc3)[C@H]2OP(=O)(O)O)OC(CO)[C@H]1OP(=O)(O)OAglycone:
O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.OCCCc1ccc(CCCO)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 38 | RingCount: | 5 |
| HBD: | 18 | FractionCSP3: | 0.82 |
| AlogP: | -5.19 | Num_rotatable_bonds: | 30 |
| MolWt: | 1262.66 | Num_heavy_atoms: | 78 |
| TPSA: | 595.78 | NumAromaticRings: | 1 |
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 |
AD03560
Formula: C12H18O2
Smiles:
OCCCc1ccc(CCCO)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 194.27 | Num_heavy_atoms: | 14 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
