Glycoside
GD115542
Name:
Fd-594Formula:
C47H56O20Smiles:
CCCC1Cc2cc3c(c(O)c2C(=O)O1)-c1c(c(OC)c2oc4ccc(OC5CC(O)C(OC6CC(O)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)c(O)c4c(=O)c2c1O)C(O)C3OAglycone:
CCCC1Cc2cc3c(c(O)c2C(=O)O1)-c1c(c(OC)c2oc4ccc(O)c(O)c4c(=O)c2c1O)C(O)C3OSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 940.95 | Num_heavy_atoms: | 67 |
| TPSA: | 292.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD45725
Formula: C28H24O11
Smiles:
CCCC1Cc2cc3c(c(O)c2C(=O)O1)-c1c(c(OC)c2oc4ccc(O)c(O)c4c(=O)c2c1O)C(O)C3O| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 536.49 | Num_heavy_atoms: | 39 |
| TPSA: | 187.12 | NumAromaticRings: | 4 |
