Glycoside
GD001952
Name:
NoneFormula:
C17H29O17N2P3Smiles:
CC(CP(=O)(O)COCCCOP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)C(=O)OAglycone:
COP(=O)(O)OP(=O)(O)OCCCOCP(=O)(O)CC(C)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 16 |
| MolWt: | 626.34 | Num_heavy_atoms: | 39 |
| TPSA: | 290.67 | 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 |
AD01901
Formula: C9H21O12P3
Smiles:
COP(=O)(O)OP(=O)(O)OCCCOCP(=O)(O)CC(C)C(=O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 13 |
| MolWt: | 414.18 | Num_heavy_atoms: | 24 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
