Glycoside
...
GD007175

Name:
None

Formula:
C69H103O17N13S2

Smiles:
CCCCCCCCCCCCC(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(N)=O)[C@H](C)O)c1ccc(O)cc1)C(=O)NC1OC(O)C(O)C(O)C1O

Aglycone:
CCCCCCCCCCCCC(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)C(N)=O

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

Other Identifiers

Properties
HBA: 30 RingCount: 5
HBD: 21 FractionCSP3: 0.57
AlogP: 0.1 Num_rotatable_bonds: 46
MolWt: 1450.79 Num_heavy_atoms: 101
TPSA: 489.44 NumAromaticRings: 4

Unique Aglycone
AD05861
Formula: C64H95O12N13S2

Smiles:
CCCCCCCCCCCCC(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)C(N)=O
HBA: 25 RingCount: 4
HBD: 18 FractionCSP3: 0.53
AlogP: 2.71 Num_rotatable_bonds: 45
MolWt: 1302.68 Num_heavy_atoms: 91
TPSA: 413.28 NumAromaticRings: 4

Sugarmoiety
SD00017

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