Glycoside
...
GD018230

Name:
None

Formula:
C106H114O21N14Cl2

Smiles:
CCCCc1ccc(CNC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C5NC(=O)C5NC(=O)C(Cc6ccc(cc6)O4)NC(=O)C(NC)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(cc(O)c(CN5CCN(Cc6ccc(-c7ccccc7)cc6)CC5)c4O)[C@H](C(=O)NCCCN(C)C)NC3=O)OC(C(=O)NCCCN(C)C)C(O)C2O)cc1

Aglycone:
CCCCc1ccc(CN)cc1.CN(C)CCCNC=O.CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CN2CCN(Cc4ccc(-c5ccccc5)cc4)CC2)c1O)C(C(=O)NCCCN(C)C)NC3=O

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

Other Identifiers

Properties
HBA: 35 RingCount: 18
HBD: 18 FractionCSP3: 0.35
AlogP: 8.9 Num_rotatable_bonds: 24
MolWt: 1967.04 Num_heavy_atoms: 141
TPSA: 477.81 NumAromaticRings: 10

Unique Aglycone
AD01030
Formula: C11H17N

Smiles:
CCCCc1ccc(CN)cc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.45
AlogP: 2.49 Num_rotatable_bonds: 4
MolWt: 163.26 Num_heavy_atoms: 12
TPSA: 26.02 NumAromaticRings: 1
AD05077
Formula: C6H14ON2

Smiles:
CN(C)CCCNC=O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: -0.32 Num_rotatable_bonds: 5
MolWt: 130.19 Num_heavy_atoms: 9
TPSA: 32.34 NumAromaticRings: 0
AD12899
Formula: C84H79O17N11Cl2

Smiles:
CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CN2CCN(Cc4ccc(-c5ccccc5)cc4)CC2)c1O)C(C(=O)NCCCN(C)C)NC3=O
HBA: 28 RingCount: 16
HBD: 15 FractionCSP3: 0.26
AlogP: 8.21 Num_rotatable_bonds: 11
MolWt: 1561.5 Num_heavy_atoms: 112
TPSA: 394.75 NumAromaticRings: 9

Sugarmoiety
SD00017

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