Glycoside
GD124574
Name:
NoneFormula:
C36H40O12N3Smiles:
C[NH2+]C(C(=O)O)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(ON2CC3=CC=NC3=C2CCC(C)C)C(O)C1OAglycone:
CC(C)CCC1=C2N=CC=C2CN1O.C[NH2+]C(C(=O)O)C(=O)OC.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 13 |
| MolWt: | 706.73 | Num_heavy_atoms: | 51 |
| TPSA: | 214.4 | NumAromaticRings: | 3 |
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 |
AD47917
Formula: C11H16ON2
Smiles:
CC(C)CCC1=C2N=CC=C2CN1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.26 | Num_heavy_atoms: | 14 |
| TPSA: | 35.83 | NumAromaticRings: | 0 |
AD50337
Formula: C5H10O4N
Smiles:
C[NH2+]C(C(=O)O)C(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.14 | Num_heavy_atoms: | 10 |
| TPSA: | 80.21 | NumAromaticRings: | 0 |
