Glycoside
...
GD007595

Name:
None

Formula:
C51H73O17N11

Smiles:
CCCCCCOc1ccc(-c2ccc([C@H](NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]3CCNC(=N)N3)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H]3O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)cc2)cc1

Aglycone:
CCCCCCOc1ccc(-c2ccc(C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C3CCNC(=N)N3)C(=O)NCCCNC(CO)C(=O)O)cc2)cc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 6
HBD: 17 FractionCSP3: 0.57
AlogP: -2.36 Num_rotatable_bonds: 28
MolWt: 1112.21 Num_heavy_atoms: 79
TPSA: 432.59 NumAromaticRings: 3

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD06165
Formula: C38H56O9N8

Smiles:
CCCCCCOc1ccc(-c2ccc(C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C3CCNC(=N)N3)C(=O)NCCCNC(CO)C(=O)O)cc2)cc1
HBA: 17 RingCount: 3
HBD: 11 FractionCSP3: 0.53
AlogP: 1.67 Num_rotatable_bonds: 23
MolWt: 768.91 Num_heavy_atoms: 55
TPSA: 263.33 NumAromaticRings: 2

Sugarmoiety
SD00045

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O