Glycoside
GD136510
Name:
14-ethylidene-4,15-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,10,16,20-tetraoxatetracyclo[21.2.2.1³,â·.0¹³,¹â¸]octacosa-1(25),3(28),4,6,17,23,26-heptaene-11,19-dioneFormula:
C38H46O18Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3OC3OC(CO)C(O)C(O)C3O)CCOC(=O)CC21Aglycone:
CC=C1C(O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 790.77 | Num_heavy_atoms: | 56 |
| TPSA: | 269.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD50368
Formula: C26H26O8
Smiles:
CC=C1C(O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 466.49 | Num_heavy_atoms: | 34 |
| TPSA: | 111.52 | NumAromaticRings: | 2 |
