Glycoside
GD146515
Name:
4-{2-[2,8-dimethyl-6-oxo-3-({2,3,4,5,6-pentahydroxy-2-[(4-hydroxyphenyl)methyl]hexyl}peroxy)-2H,3H,4H,6H-pyrano[3,2-g]chromen-2-yl]ethyl}pyrrolidin-2-oneFormula:
C33H41O12NSmiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3.Cc1ccc(O)cc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 13 |
| MolWt: | 643.69 | Num_heavy_atoms: | 46 |
| TPSA: | 211.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD45136
Formula: C20H23O5N
Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.41 | Num_heavy_atoms: | 26 |
| TPSA: | 92.26 | NumAromaticRings: | 2 |
