Glycoside
...
GD001481

Name:
None

Formula:
C52H75O16N11

Smiles:
CC(C)[C@H](NC(=O)N[C@H](C(=O)N[C@H](CCCCCCCc1ccc(-c2ccccc2)cc1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)[C@@H]1CCNC(=N)N1)C(=O)O

Aglycone:
CC(C)C(NC(=O)NC(C(=O)NC(CCCCCCCc1ccc(-c2ccccc2)cc1)C(=O)NCCCNC(CO)C(=O)O)C1CCNC(=N)N1)C(=O)O.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 27 RingCount: 6
HBD: 17 FractionCSP3: 0.58
AlogP: -2.11 Num_rotatable_bonds: 29
MolWt: 1110.23 Num_heavy_atoms: 79
TPSA: 423.36 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
AD01481
Formula: C39H58O8N8

Smiles:
CC(C)C(NC(=O)NC(C(=O)NC(CCCCCCCc1ccc(-c2ccccc2)cc1)C(=O)NCCCNC(CO)C(=O)O)C1CCNC(=N)N1)C(=O)O
HBA: 16 RingCount: 3
HBD: 11 FractionCSP3: 0.54
AlogP: 1.93 Num_rotatable_bonds: 24
MolWt: 766.94 Num_heavy_atoms: 55
TPSA: 254.1 NumAromaticRings: 2

Sugarmoiety
SD00045

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