Glycoside
GD000698
Name:
NoneFormula:
C50H73O14NSmiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5C[C@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7=Cc7ccc(N(C)C)cc7)CC[C@@]65O)C4)C[C@H]3O)C[C@H]2O)C[C@H](O)[C@H]1OAglycone:
CN(C)c1ccc(C=C2OC(=O)C=C2C2CCC3(O)C4CCC5CC(O)CCC5(C)C4CC(O)C23C)cc1Sugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 912.13 | Num_heavy_atoms: | 65 |
| TPSA: | 206.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD00750
Formula: C32H43O5N
Smiles:
CN(C)c1ccc(C=C2OC(=O)C=C2C2CCC3(O)C4CCC5CC(O)CCC5(C)C4CC(O)C23C)cc1| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.66 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 521.7 | Num_heavy_atoms: | 38 |
| TPSA: | 90.23 | NumAromaticRings: | 1 |
