Glycoside
GD032197
Name:
NoneFormula:
C34H33O18N2PSmiles:
COc1cc([C@@H]2Oc3cc([C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O)ccc3O[C@H]2COP(=O)(O)O[C@@H]2[C@H](CO)O[C@H](n3ccc(=O)[nH]c3=O)[C@H]2O)ccc1OAglycone:
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2COP(=O)(O)O)ccc1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 788.61 | Num_heavy_atoms: | 55 |
| TPSA: | 295.22 | NumAromaticRings: | 4 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD03215
Formula: C25H23O13P
Smiles:
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2COP(=O)(O)O)ccc1O| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.42 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 3 |
