Glycoside
...
GD005610

Name:
None

Formula:
C100H149O35N31S3

Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](N(C(C)=O)C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)O)CC2

Aglycone:
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C(C)=O)C(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CNC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCS)NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCS)C(C)O)CC2

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

Other Identifiers

Properties
HBA: 66 RingCount: 8
HBD: 40 FractionCSP3: 0.57
AlogP: -13.36 Num_rotatable_bonds: 67
MolWt: 2441.67 Num_heavy_atoms: 169
TPSA: 1037.44 NumAromaticRings: 5

Unique Aglycone
AD04741
Formula: C88H129O25N31S3

Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C(C)=O)C(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CNC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCS)NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CCS)C(C)O)CC2
HBA: 56 RingCount: 6
HBD: 32 FractionCSP3: 0.51
AlogP: -8.57 Num_rotatable_bonds: 61
MolWt: 2117.39 Num_heavy_atoms: 147
TPSA: 857.14 NumAromaticRings: 5

Sugarmoiety
SD00019

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