Glycoside
GD132494
Name:
2-[(4-ethenyl-7,8-dihydroxy-13-oxo-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C34H37O13NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)OC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 667.66 | Num_heavy_atoms: | 48 |
| TPSA: | 204.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD17239
Formula: C18H19O5N
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 329.35 | Num_heavy_atoms: | 24 |
| TPSA: | 90.23 | NumAromaticRings: | 1 |
