Glycoside
...
GD006204

Name:
None

Formula:
C78H121O27N21

Smiles:
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(N)=O

Aglycone:
CC(C)CC(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O

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

Other Identifiers

Properties
HBA: 48 RingCount: 3
HBD: 31 FractionCSP3: 0.59
AlogP: -11.6 Num_rotatable_bonds: 53
MolWt: 1784.95 Num_heavy_atoms: 126
TPSA: 788.79 NumAromaticRings: 2

Unique Aglycone
AD05152
Formula: C72H111O22N21

Smiles:
CC(C)CC(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O
HBA: 43 RingCount: 2
HBD: 28 FractionCSP3: 0.56
AlogP: -9.42 Num_rotatable_bonds: 50
MolWt: 1622.81 Num_heavy_atoms: 115
TPSA: 709.64 NumAromaticRings: 2

Sugarmoiety
SD00003

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