Glycoside
GD150990
Name:
3-[(N'-methylcarbamimidamido)methoxy]-4-[(3,4,5-trihydroxy-6-{[4-hydroxy-3-methoxy-5-(2-phenylethoxy)benzoyloxy]methyl}oxan-2-yl)oxy]benzoic acidFormula:
C32H37O13N3Smiles:
CNC(=N)NCOc1cc(C(=O)O)ccc1OC1OC(COC(=O)c2cc(OC)c(O)c(OCCc3ccccc3)c2)C(O)C(O)C1OAglycone:
CNC(=N)NCOc1cc(C(=O)O)ccc1O.COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.34 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 14 |
| MolWt: | 671.66 | Num_heavy_atoms: | 48 |
| TPSA: | 238.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD45956
Formula: C10H13O4N3
Smiles:
CNC(=N)NCOc1cc(C(=O)O)ccc1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 239.23 | Num_heavy_atoms: | 17 |
| TPSA: | 114.67 | NumAromaticRings: | 1 |
AD46240
Formula: C17H18O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
