Glycoside
...
GD016090

Name:
None

Formula:
C75H119O31N19

Smiles:
CC[C@H](C)[C@H](NCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC[C@H](CN)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@H](C)O

Aglycone:
CCC(C)C(NCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(O)CN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(=O)O)C(C)O

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

Other Identifiers

Properties
HBA: 50 RingCount: 3
HBD: 30 FractionCSP3: 0.65
AlogP: -12.19 Num_rotatable_bonds: 58
MolWt: 1782.88 Num_heavy_atoms: 125
TPSA: 803.68 NumAromaticRings: 1

Unique Aglycone
AD11623
Formula: C69H109O26N19

Smiles:
CCC(C)C(NCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(O)CN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(=O)O)C(C)O
HBA: 45 RingCount: 2
HBD: 27 FractionCSP3: 0.62
AlogP: -10.02 Num_rotatable_bonds: 55
MolWt: 1620.74 Num_heavy_atoms: 114
TPSA: 724.53 NumAromaticRings: 1

Sugarmoiety
SD00003

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