Glycoside
...
GD031411

Name:
None

Formula:
C63H105O21N15

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]([C@H](C)CC)C(=O)O[C@H]1C)[C@H](C)CC)[C@H](C)CC

Aglycone:
CCC(C)C(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NC1C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)CC)C(=O)OC1C)C(C)CC)C(C)CC

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

Other Identifiers

Properties
HBA: 36 RingCount: 3
HBD: 24 FractionCSP3: 0.7
AlogP: -6.75 Num_rotatable_bonds: 36
MolWt: 1408.62 Num_heavy_atoms: 99
TPSA: 588.15 NumAromaticRings: 1

Unique Aglycone
AD20241
Formula: C57H95O16N15

Smiles:
CCC(C)C(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NC1C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)CC)C(=O)OC1C)C(C)CC)C(C)CC
HBA: 31 RingCount: 2
HBD: 21 FractionCSP3: 0.67
AlogP: -4.23 Num_rotatable_bonds: 33
MolWt: 1246.48 Num_heavy_atoms: 88
TPSA: 509.0 NumAromaticRings: 1

Sugarmoiety
SD00003

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