Glycoside
GD137034
Name:
NoneFormula:
C33H36O11N2Smiles:
CC(C)C(CNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(C(=O)O)C(O)C1(O)C=O)Cc1cc[nH]c1Aglycone:
CNCC(Cc1cc[nH]c1)C(C)C.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
O=CC1(O)C(O)C(C(=O)O)OC(O)C1(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 636.65 | Num_heavy_atoms: | 46 |
| TPSA: | 211.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD04556
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
AD46363
Formula: C11H20N2
Smiles:
CNCC(Cc1cc[nH]c1)C(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 180.29 | Num_heavy_atoms: | 13 |
| TPSA: | 27.82 | NumAromaticRings: | 1 |
