Glycoside
...
GD019032

Name:
None

Formula:
C89H146O27N20

Smiles:
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@H](C)O)C(N)=O

Aglycone:
CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CCCNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(N)=O

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

Other Identifiers

Properties
HBA: 47 RingCount: 3
HBD: 32 FractionCSP3: 0.66
AlogP: -6.89 Num_rotatable_bonds: 63
MolWt: 1928.26 Num_heavy_atoms: 136
TPSA: 777.88 NumAromaticRings: 2

Unique Aglycone
AD13335
Formula: C83H136O22N20

Smiles:
CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CCCNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(N)=O
HBA: 42 RingCount: 2
HBD: 29 FractionCSP3: 0.64
AlogP: -4.71 Num_rotatable_bonds: 60
MolWt: 1766.12 Num_heavy_atoms: 125
TPSA: 698.73 NumAromaticRings: 2

Sugarmoiety
SD00003

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