Glycoside
...
GD035756

Name:
None

Formula:
C43H70O17N14

Smiles:
CC(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)[C@H](C)O

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)C(C)O

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

Other Identifiers

Properties
HBA: 31 RingCount: 3
HBD: 20 FractionCSP3: 0.67
AlogP: -8.17 Num_rotatable_bonds: 28
MolWt: 1055.11 Num_heavy_atoms: 74
TPSA: 505.36 NumAromaticRings: 1

Unique Aglycone
AD22607
Formula: C37H60O12N14

Smiles:
CC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)C(C)O
HBA: 26 RingCount: 2
HBD: 17 FractionCSP3: 0.62
AlogP: -5.6 Num_rotatable_bonds: 26
MolWt: 892.97 Num_heavy_atoms: 63
TPSA: 429.2 NumAromaticRings: 1

Sugarmoiety
SD00003

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