Glycoside
...
GD034389

Name:
None

Formula:
C43H56O12N8S

Smiles:
CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)C[C@H](NC(=O)[C@H](CSCC3O[C@H](O)C(O)[C@H](O)[C@H]3O)CNC1=O)C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](Cc1ccccc1)C(=O)N2

Aglycone:
CSCC1CNC(=O)C(CC(C)C)NC(=O)C2CNC(=O)CC(NC1=O)C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)NC(Cc1ccccc1)C(=O)N2

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 12 FractionCSP3: 0.51
AlogP: -2.78 Num_rotatable_bonds: 10
MolWt: 909.03 Num_heavy_atoms: 64
TPSA: 309.64 NumAromaticRings: 3

Unique Aglycone
AD21871
Formula: C38H48O7N8S

Smiles:
CSCC1CNC(=O)C(CC(C)C)NC(=O)C2CNC(=O)CC(NC1=O)C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)NC(Cc1ccccc1)C(=O)N2
HBA: 15 RingCount: 5
HBD: 8 FractionCSP3: 0.45
AlogP: 0.05 Num_rotatable_bonds: 8
MolWt: 760.92 Num_heavy_atoms: 54
TPSA: 219.49 NumAromaticRings: 3

Sugarmoiety
SD00017

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