Glycoside
GD143785
Name:
4-ethenyl-7-hydroxy-1,8-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,10,11,13-hexahydro-2-oxa-12-azatetraphen-13-oneFormula:
C26H31O11NSmiles:
C=CC1c2cc3n(c(=O)c2C(OC)OC1OC1OC(CO)C(O)C(O)C1O)CCc1cc(OC)c(O)cc1-3Aglycone:
C=CC1c2cc3n(c(=O)c2C(OC)OC1O)CCc1cc(OC)c(O)cc1-3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 533.53 | Num_heavy_atoms: | 38 |
| TPSA: | 169.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD57805
Formula: C20H21O6N
Smiles:
C=CC1c2cc3n(c(=O)c2C(OC)OC1O)CCc1cc(OC)c(O)cc1-3| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 371.39 | Num_heavy_atoms: | 27 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
