Glycoside
GD149227
Name:
3874 H3Formula:
C57H87O18NSmiles:
CC=CC=CC(=O)CC(O)CCC(C)C1OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC(O)CC2(O)CC(O)C(C(=O)O)C(CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CC=CC=CC=CC1C)O2Aglycone:
CC=CC=CC(=O)CC(O)CCC(C)C1OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC(O)CC2(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC1C)O2Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.63 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 1074.31 | Num_heavy_atoms: | 76 |
| TPSA: | 336.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD59678
Formula: C51H76O15
Smiles:
CC=CC=CC(=O)CC(O)CCC(C)C1OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC(O)CC2(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC1C)O2| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 929.15 | Num_heavy_atoms: | 66 |
| TPSA: | 271.97 | NumAromaticRings: | 0 |
