Glycoside
GD130815
Name:
4-ethenyl-8-hydroxy-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-13-oneFormula:
C30H39O15NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3CCc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)cc4C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.63 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 653.63 | Num_heavy_atoms: | 46 |
| TPSA: | 248.53 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
