Glycoside
...
GD010013

Name:
None

Formula:
C49H75O16N9

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)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)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: 25 RingCount: 3
HBD: 17 FractionCSP3: 0.59
AlogP: -4.28 Num_rotatable_bonds: 30
MolWt: 1046.19 Num_heavy_atoms: 74
TPSA: 412.65 NumAromaticRings: 2

Unique Aglycone
AD07788
Formula: C43H65O11N9

Smiles:
CC(C)CC(NC(=O)C(CO)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: 20 RingCount: 2
HBD: 14 FractionCSP3: 0.53
AlogP: -2.11 Num_rotatable_bonds: 27
MolWt: 884.04 Num_heavy_atoms: 63
TPSA: 333.5 NumAromaticRings: 2

Sugarmoiety
SD00003

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