Glycoside

GD009890
Name:
NoneFormula:
C57H88O16N2Smiles:
C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)C[C@@H](O)[C@@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1OAglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)NC1C2CC3CC(C2)CC1C3Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
HBA: | 18 | RingCount: | 7 |
HBD: | 13 | FractionCSP3: | 0.72 |
AlogP: | 2.57 | Num_rotatable_bonds: | 4 |
MolWt: | 1057.33 | Num_heavy_atoms: | 75 |
TPSA: | 311.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD07712
Formula: C51H77O13N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)NC1C2CC3CC(C2)CC1C3HBA: | 14 | RingCount: | 6 |
HBD: | 10 | FractionCSP3: | 0.69 |
AlogP: | 3.75 | Num_rotatable_bonds: | 2 |
MolWt: | 912.17 | Num_heavy_atoms: | 65 |
TPSA: | 246.7 | NumAromaticRings: | 0 |