Glycoside
...
GD002375

Name:
None

Formula:
C70H104O17N14S2

Smiles:
CCCCCCCCCCCCC(N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CSCNC(C)=O)C(=O)NC(C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CSCNC(C)=O)C(=O)N[C@H](C(=O)NC1OC(C(N)=O)C(O)C(O)C1O)[C@H](C)O)c1ccc(O)cc1

Aglycone:
CCCCCCCCCCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(N)=O)C(C)O)c1ccc(O)cc1

Sugarmoiety:
NC(=O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 5
HBD: 22 FractionCSP3: 0.56
AlogP: -0.36 Num_rotatable_bonds: 46
MolWt: 1477.82 Num_heavy_atoms: 103
TPSA: 512.3 NumAromaticRings: 4

Unique Aglycone
AD02271
Formula: C64H95O12N13S2

Smiles:
CCCCCCCCCCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CSCNC(C)=O)C(=O)NC(C(N)=O)C(C)O)c1ccc(O)cc1
HBA: 25 RingCount: 4
HBD: 18 FractionCSP3: 0.53
AlogP: 2.71 Num_rotatable_bonds: 44
MolWt: 1302.68 Num_heavy_atoms: 91
TPSA: 413.28 NumAromaticRings: 4

Sugarmoiety
SD00554

NC(=O)C1OC(O)C(O)C(O)C1O