Glycoside
GD137718
Name:
4-ethenyl-8-hydroxy-7-methoxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-13-oneFormula:
C31H41O15NSmiles:
C=CC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC=C2C(=O)N3CCc4cc(O)c(OC)cc4C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(O)c(OC)cc4C3CC21Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 667.66 | Num_heavy_atoms: | 47 |
| TPSA: | 237.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD21343
Formula: C19H21O5N
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(O)c(OC)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 |
