Glycoside
GD151930
Name:
methyl 2-({6-[(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}formamido)-3-methylbutanoateFormula:
C27H29O12NSmiles:
COC(=O)C(N=C(O)C1OC(Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C(O)C(O)C1O)C(C)CAglycone:
COC(=O)C(N=CO)C(C)C.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 559.52 | Num_heavy_atoms: | 40 |
| TPSA: | 208.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD02851
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
AD57372
Formula: C7H13O3N
Smiles:
COC(=O)C(N=CO)C(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 159.19 | Num_heavy_atoms: | 11 |
| TPSA: | 58.89 | NumAromaticRings: | 0 |
