Glycoside
GD141632
Name:
[3,4-bis(acetyloxy)-6-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}-5-acetamidooxan-2-yl]methyl acetateFormula:
C33H35O13NSmiles:
CC(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)c(C)oc3c2)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 653.64 | Num_heavy_atoms: | 47 |
| TPSA: | 178.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44390
Formula: C19H16O5
Smiles:
Cc1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 324.33 | Num_heavy_atoms: | 24 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
