Glycoside
...
GD027961

Name:
HASSALLIDIN A

Formula:
C62H99O24N11

Smiles:
CC=C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(O)C(O)CCCCCCCCCCC)[C@H](C)O)[C@H](C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@H](C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)N(C)C(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O

Aglycone:
CC=C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)CCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(N)=O)NC(=O)C(C(C)O)N(C)C(=O)CNC(=O)C(CCC(N)=O)NC1=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 35 RingCount: 3
HBD: 21 FractionCSP3: 0.68
AlogP: -6.11 Num_rotatable_bonds: 29
MolWt: 1382.53 Num_heavy_atoms: 97
TPSA: 566.12 NumAromaticRings: 1

Unique Aglycone
AD13835
Formula: C56H89O19N11

Smiles:
CC=C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)CCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(N)=O)NC(=O)C(C(C)O)N(C)C(=O)CNC(=O)C(CCC(N)=O)NC1=O
HBA: 30 RingCount: 2
HBD: 18 FractionCSP3: 0.64
AlogP: -3.93 Num_rotatable_bonds: 26
MolWt: 1220.39 Num_heavy_atoms: 86
TPSA: 486.97 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O