Glycoside
...
GD010453

Name:
None

Formula:
C69H98O17N10

Smiles:
CCCCCCCCCCCC(=O)NC1C(Oc2cc3cc(c2OC)Oc2ccc(cc2[N+](=O)[O-])C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]3[C@H](O)C(=O)NCCCC(=O)N[C@H](C(=O)NCCCN(C)C)c2ccccc2)OC(CO)C(O)C1O

Aglycone:
CCCCCCCCCCCC(N)=O.COc1c(O)cc2cc1Oc1ccc(cc1[N+](=O)[O-])CC(NC(=O)C(N)CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC2C(O)C(=O)NCCCC(=O)NC(C(=O)NCCCN(C)C)c1ccccc1

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

Other Identifiers

Properties
HBA: 27 RingCount: 7
HBD: 13 FractionCSP3: 0.55
AlogP: 4.1 Num_rotatable_bonds: 35
MolWt: 1339.6 Num_heavy_atoms: 96
TPSA: 393.94 NumAromaticRings: 4

Unique Aglycone
AD00189
Formula: C12H25ON

Smiles:
CCCCCCCCCCCC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 3.39 Num_rotatable_bonds: 10
MolWt: 199.34 Num_heavy_atoms: 14
TPSA: 43.09 NumAromaticRings: 0
AD08067
Formula: C51H65O12N9

Smiles:
COc1c(O)cc2cc1Oc1ccc(cc1[N+](=O)[O-])CC(NC(=O)C(N)CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC2C(O)C(=O)NCCCC(=O)NC(C(=O)NCCCN(C)C)c1ccccc1
HBA: 21 RingCount: 6
HBD: 10 FractionCSP3: 0.41
AlogP: 2.58 Num_rotatable_bonds: 21
MolWt: 996.13 Num_heavy_atoms: 72
TPSA: 305.92 NumAromaticRings: 4

Sugarmoiety
SD00003

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