Glycoside
...
GD032121

Name:
None

Formula:
C82H113O23N15

Smiles:
CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@H](NC(=O)C[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC3=O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CC(=O)NC1C(NC(=O)CC2NC(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccccc3)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CCC(N)=O)NC2=O)OC(CO)C(O)C1O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 8
HBD: 22 FractionCSP3: 0.54
AlogP: -4.84 Num_rotatable_bonds: 26
MolWt: 1676.89 Num_heavy_atoms: 120
TPSA: 587.69 NumAromaticRings: 4

Unique Aglycone
AD20627
Formula: C74H100O18N14

Smiles:
CC(=O)NC1C(NC(=O)CC2NC(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccccc3)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CCC(N)=O)NC2=O)OC(CO)C(O)C1O
HBA: 32 RingCount: 7
HBD: 19 FractionCSP3: 0.5
AlogP: -2.81 Num_rotatable_bonds: 22
MolWt: 1473.69 Num_heavy_atoms: 106
TPSA: 499.67 NumAromaticRings: 4

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O