Glycoside
...
GD023274

Name:
None

Formula:
C61H86O19N18

Smiles:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H]1O[C@H](C(N)=O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(C)CC(NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(N)CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O

Sugarmoiety:
NC(=O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 6
HBD: 25 FractionCSP3: 0.51
AlogP: -7.34 Num_rotatable_bonds: 36
MolWt: 1375.47 Num_heavy_atoms: 98
TPSA: 605.37 NumAromaticRings: 4

Unique Aglycone
AD15673
Formula: C55H77O14N17

Smiles:
CC(C)CC(NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(N)CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O
HBA: 31 RingCount: 5
HBD: 21 FractionCSP3: 0.47
AlogP: -4.26 Num_rotatable_bonds: 34
MolWt: 1200.33 Num_heavy_atoms: 86
TPSA: 506.35 NumAromaticRings: 4

Sugarmoiety
SD00554

NC(=O)C1OC(O)C(O)C(O)C1O