Glycoside
...
GD034234

Name:
None

Formula:
C38H63O13N13

Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)O

Aglycone:
CC(O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)O

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

Other Identifiers

Properties
HBA: 26 RingCount: 2
HBD: 21 FractionCSP3: 0.61
AlogP: -6.28 Num_rotatable_bonds: 27
MolWt: 910.0 Num_heavy_atoms: 64
TPSA: 454.86 NumAromaticRings: 1

Unique Aglycone
AD21783
Formula: C30H50O8N12

Smiles:
CC(O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)O
HBA: 20 RingCount: 1
HBD: 18 FractionCSP3: 0.53
AlogP: -4.25 Num_rotatable_bonds: 23
MolWt: 706.81 Num_heavy_atoms: 50
TPSA: 366.84 NumAromaticRings: 1

Sugarmoiety
SD00014

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