Glycoside
...
GD027792

Name:
None

Formula:
C51H83O19N13

Smiles:
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@H](C)CNCC(=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(N)=O

Aglycone:
CCC(C)C(NC(C)=O)C(=O)NC(C)C(=O)NC(C)CNCC(=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(N)=O

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

Other Identifiers

Properties
HBA: 32 RingCount: 2
HBD: 21 FractionCSP3: 0.65
AlogP: -7.91 Num_rotatable_bonds: 38
MolWt: 1182.3 Num_heavy_atoms: 83
TPSA: 522.81 NumAromaticRings: 1

Unique Aglycone
AD18230
Formula: C45H73O14N13

Smiles:
CCC(C)C(NC(C)=O)C(=O)NC(C)C(=O)NC(C)CNCC(=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(N)=O
HBA: 27 RingCount: 1
HBD: 18 FractionCSP3: 0.6
AlogP: -5.73 Num_rotatable_bonds: 35
MolWt: 1020.16 Num_heavy_atoms: 72
TPSA: 443.66 NumAromaticRings: 1

Sugarmoiety
SD00003

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