Glycoside
GD154373
Name:
NoneFormula:
C51H46O23Smiles:
OCC1OC(OC2Cc3c(O)cc(O)c(C4C5=C(O)C=C(O)C(=C6C(O)=C(c7ccc(O)c(O)c7)[OH+]c7cc(O)cc(O)c76)[C]5OC(c5ccc(O)c(O)c5)C4O)c3OC2c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
OC1=CC(O)=C2C(OC(c3ccc(O)c(O)c3)C(O)C2c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)C1=C1C(O)=C(c2ccc(O)c(O)c2)[OH+]c2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 19 | FractionCSP3: | 0.24 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 1026.91 | Num_heavy_atoms: | 74 |
| TPSA: | 413.86 | NumAromaticRings: | 5 |
Unique Aglycone
AD61325
Formula: C45H37O18
Smiles:
OC1=CC(O)=C2C(OC(c3ccc(O)c(O)c3)C(O)C2c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)C1=C1C(O)=C(c2ccc(O)c(O)c2)[OH+]c2cc(O)cc(O)c21| HBA: | 18 | RingCount: | 9 |
| HBD: | 16 | FractionCSP3: | 0.16 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 865.77 | Num_heavy_atoms: | 63 |
| TPSA: | 334.71 | NumAromaticRings: | 5 |
