Glycoside
GD153188
Name:
DelphinFormula:
C27H31O17Smiles:
OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 627.53 | Num_heavy_atoms: | 44 |
| TPSA: | 290.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD02363
Formula: C15H11O7
Smiles:
Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 303.25 | Num_heavy_atoms: | 22 |
| TPSA: | 132.68 | NumAromaticRings: | 3 |
