Glycoside
GD125071
Name:
Fd-594Formula:
C47H58O20Smiles:
CCCC1Cc2cc3c(c(O)c2C(=O)O1)-c1c(O)c2c(c(OC)c1C(O)C3O)OC1C=CC(OC3CC(O)C(OC4CC(O)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)O3)=C(O)C1C2=OAglycone:
CCCC1Cc2cc3c(c(O)c2C(=O)O1)-c1c(O)c2c(c(OC)c1C(O)C3O)OC1C=CC(O)=C(O)C1C2=OSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 942.96 | Num_heavy_atoms: | 67 |
| TPSA: | 288.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD50572
Formula: C28H26O11
Smiles:
CCCC1Cc2cc3c(c(O)c2C(=O)O1)-c1c(O)c2c(c(OC)c1C(O)C3O)OC1C=CC(O)=C(O)C1C2=O| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 538.51 | Num_heavy_atoms: | 39 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
