Glycoside

GD023897
Name:
NoneFormula:
C52H88O21N10Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H](C)[C@@H]1NOC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC1=OAglycone:
CC1NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)O)NOC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC1=OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 31 | RingCount: | 4 |
HBD: | 15 | FractionCSP3: | 0.81 |
AlogP: | -6.34 | Num_rotatable_bonds: | 12 |
MolWt: | 1189.32 | Num_heavy_atoms: | 83 |
TPSA: | 449.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD16025
Formula: C38H65O11N9
Smiles:
CC1NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)O)NOC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC1=OHBA: | 20 | RingCount: | 2 |
HBD: | 9 | FractionCSP3: | 0.76 |
AlogP: | -2.13 | Num_rotatable_bonds: | 5 |
MolWt: | 823.99 | Num_heavy_atoms: | 58 |
TPSA: | 282.57 | NumAromaticRings: | 0 |