Glycoside
GD152355
Name:
Vatalbinoside BFormula:
C62H52O17Smiles:
OCC1OC(c2c(O)cc(C3c4c(O)cc5c6c4C(C(c4ccc(O)cc4)c4c(O)cc(O)cc4C6C(c4ccc(O)cc4)O5)C3c3ccc(O)cc3)c3c2OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)C(O)C(O)C1OAglycone:
Oc1ccc(C2Oc3cc(O)cc(C4c5c(O)cc6c7c5C(C(c5ccc(O)cc5)c5c(O)cc(O)cc5C7C(c5ccc(O)cc5)O6)C4c4ccc(O)cc4)c3C2c2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 13 |
| HBD: | 14 | FractionCSP3: | 0.23 |
| AlogP: | 7.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 1069.08 | Num_heavy_atoms: | 79 |
| TPSA: | 310.91 | NumAromaticRings: | 8 |
Unique Aglycone
AD53540
Formula: C56H42O12
Smiles:
Oc1ccc(C2Oc3cc(O)cc(C4c5c(O)cc6c7c5C(C(c5ccc(O)cc5)c5c(O)cc(O)cc5C7C(c5ccc(O)cc5)O6)C4c4ccc(O)cc4)c3C2c2cc(O)cc(O)c2)cc1| HBA: | 12 | RingCount: | 12 |
| HBD: | 10 | FractionCSP3: | 0.14 |
| AlogP: | 10.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 906.94 | Num_heavy_atoms: | 68 |
| TPSA: | 220.76 | NumAromaticRings: | 8 |
