Glycoside
GD141648
Name:
2-[(4-ethenyl-7-hydroxy-8-methoxy-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-[(1,3-dihydroxypropan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoateFormula:
C38H45O15NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)C=Cc2ccc(OC(CO)CO)c(OC)c2)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21.COc1cc(C=CC(=O)O)ccc1OC(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 755.77 | Num_heavy_atoms: | 54 |
| TPSA: | 223.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD16618
Formula: C19H21O5N
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 343.38 | Num_heavy_atoms: | 25 |
| TPSA: | 79.23 | NumAromaticRings: | 1 |
AD57050
Formula: C13H16O6
Smiles:
COc1cc(C=CC(=O)O)ccc1OC(CO)CO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 268.26 | Num_heavy_atoms: | 19 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
