Glycoside
GD130424
Name:
Dalpatein-7-O-[Beta-D-Apiofuranosyl-(1-6)-Beta-D-Glucopyranoside]Formula:
C29H32O16Smiles:
COc1cc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2cc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
COc1cc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2cc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 636.56 | Num_heavy_atoms: | 45 |
| TPSA: | 225.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD52855
Formula: C18H14O7
Smiles:
COc1cc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2cc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.3 | Num_heavy_atoms: | 25 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
