Glycoside
...
GD036410

Name:
None

Formula:
C41H66O19N12

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)C=NO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(N)=O)[C@H](C)O

Aglycone:
CCC(C)C(NC(=O)C(CO)NC(=O)C(CO)NC(=O)C=NO)C(=O)NC(C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CO)C(N)=O)C(C)O

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

Other Identifiers

Properties
HBA: 31 RingCount: 3
HBD: 18 FractionCSP3: 0.68
AlogP: -9.95 Num_rotatable_bonds: 27
MolWt: 1031.04 Num_heavy_atoms: 72
TPSA: 488.44 NumAromaticRings: 1

Unique Aglycone
AD22962
Formula: C35H56O14N12

Smiles:
CCC(C)C(NC(=O)C(CO)NC(=O)C(CO)NC(=O)C=NO)C(=O)NC(C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CO)C(N)=O)C(C)O
HBA: 26 RingCount: 2
HBD: 15 FractionCSP3: 0.63
AlogP: -7.29 Num_rotatable_bonds: 24
MolWt: 868.9 Num_heavy_atoms: 61
TPSA: 409.29 NumAromaticRings: 1

Sugarmoiety
SD00003

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