Glycoside
GD004816
Name:
U 51204Formula:
C37H47O14NSmiles:
COC1C(C)OC(OC2CC(C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)C(OC)C1(C)OCAglycone:
CN(C)C1C(O)C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5)C(C)(O2)C1OSugarmoiety:
COC1C(C)OC(O)C(OC)C1(C)OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 729.78 | Num_heavy_atoms: | 52 |
| TPSA: | 203.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD04159
Formula: C27H29O10N
Smiles:
CN(C)C1C(O)C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5)C(C)(O2)C1O| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 527.53 | Num_heavy_atoms: | 38 |
| TPSA: | 177.22 | NumAromaticRings: | 2 |
