Glycoside
GD022400
Name:
NoneFormula:
C35H64O12N3PSmiles:
CCCCCCCCCCCCCCCCOCCCOP(=O)(CCN1C[C@H](O)[C@H](O)[C@H](O)C1)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCOCCCOP(=O)(CCN1CC(O)C(O)C(O)C1)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 27 |
| MolWt: | 749.88 | Num_heavy_atoms: | 51 |
| TPSA: | 213.24 | 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 |
AD15188
Formula: C27H56O7NP
Smiles:
CCCCCCCCCCCCCCCCOCCCOP(=O)(CCN1CC(O)C(O)C(O)C1)OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 24 |
| MolWt: | 537.72 | Num_heavy_atoms: | 36 |
| TPSA: | 108.69 | NumAromaticRings: | 0 |
