Glycoside
GD020791
Name:
NoneFormula:
C31H34O12N2Smiles:
C[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)N2CCCC2)[C@H]1OC(=O)N1CCCC1Aglycone:
O=C(O)N1CCCC1.O=C(O)N1CCCC1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 626.62 | Num_heavy_atoms: | 45 |
| TPSA: | 188.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD14300
Formula: C5H9O2N
Smiles:
O=C(O)N1CCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
