Glycoside
GD009453
Name:
Cg-1-CFormula:
C42H52O15N2Smiles:
CC[C@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4OC(C)C(=O)C=C4N)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OCAglycone:
CC1OC(O)C(N)=CC1=O.CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OCSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 824.88 | Num_heavy_atoms: | 59 |
| TPSA: | 243.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD00015
Formula: C30H35O10N
Smiles:
CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 569.61 | Num_heavy_atoms: | 41 |
| TPSA: | 163.06 | NumAromaticRings: | 2 |
AD04119
Formula: C6H9O3N
Smiles:
CC1OC(O)C(N)=CC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 0 |
| MolWt: | 143.14 | Num_heavy_atoms: | 10 |
| TPSA: | 72.55 | NumAromaticRings: | 0 |
