Glycoside
GD032162
Name:
NoneFormula:
C18H29O17N3P2Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC1OC(CO)C(O)C(O)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.72 |
| AlogP: | -4.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 621.38 | Num_heavy_atoms: | 40 |
| TPSA: | 305.86 | NumAromaticRings: | 1 |
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 |
AD20650
Formula: C10H21O12NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC(CO)C(O)C(O)C1NC(C)=O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 409.22 | Num_heavy_atoms: | 25 |
| TPSA: | 201.31 | NumAromaticRings: | 0 |
