Glycoside
...
GD002574

Name:
None

Formula:
C52H82O20N12

Smiles:
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)CCC(=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)C(=O)CCC(=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: 20 FractionCSP3: 0.63
AlogP: -7.15 Num_rotatable_bonds: 38
MolWt: 1195.29 Num_heavy_atoms: 84
TPSA: 527.85 NumAromaticRings: 1

Unique Aglycone
AD02442
Formula: C46H72O15N12

Smiles:
CCC(C)C(NC(C)=O)C(=O)NC(C)C(=O)NC(C)C(=O)CCC(=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: 17 FractionCSP3: 0.59
AlogP: -4.97 Num_rotatable_bonds: 35
MolWt: 1033.15 Num_heavy_atoms: 73
TPSA: 448.7 NumAromaticRings: 1

Sugarmoiety
SD00003

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