Glycoside
...
GD009694

Name:
None

Formula:
C44H63O17N7

Smiles:
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O)C(C)C

Aglycone:
COC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(C)C

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 3
HBD: 15 FractionCSP3: 0.55
AlogP: -4.44 Num_rotatable_bonds: 24
MolWt: 962.02 Num_heavy_atoms: 68
TPSA: 394.83 NumAromaticRings: 2

Unique Aglycone
AD07578
Formula: C39H55O12N7

Smiles:
COC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(C)C
HBA: 19 RingCount: 2
HBD: 11 FractionCSP3: 0.49
AlogP: -1.61 Num_rotatable_bonds: 22
MolWt: 813.91 Num_heavy_atoms: 58
TPSA: 304.68 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O