Glycoside
GD004616
Name:
NysertFormula:
C47H75O16NSmiles:
CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)OAglycone:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.7 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 910.11 | Num_heavy_atoms: | 64 |
| TPSA: | 299.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD04007
Formula: C41H64O13
Smiles:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.66 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 764.95 | Num_heavy_atoms: | 54 |
| TPSA: | 234.67 | NumAromaticRings: | 0 |
