Glycoside
...
GD012001

Name:
None

Formula:
C85H112O26N11Cl

Smiles:
CCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)[C@@H]1NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC)[C@H](O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3C[C@@](C)(N)[C@H](O)[C@H](C)O3)Oc3ccc(cc3)[C@H](O[C@@H]3C[C@@](C)(N)[C@H](O)[C@H](C)O3)[C@H](NC1=O)C(=O)N[C@H]2C(=O)O

Aglycone:
CC1OC(O)CC(C)(N)C1O.CCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)C1NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3)C(OC3CC(C)(N)C(O)C(C)O3)C(NC1=O)C(=O)NC2C(=O)O

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

Other Identifiers

Properties
HBA: 37 RingCount: 13
HBD: 24 FractionCSP3: 0.55
AlogP: 2.92 Num_rotatable_bonds: 26
MolWt: 1727.32 Num_heavy_atoms: 122
TPSA: 587.0 NumAromaticRings: 5

Unique Aglycone
AD00183
Formula: C7H15O3N

Smiles:
CC1OC(O)CC(C)(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -0.81 Num_rotatable_bonds: 0
MolWt: 161.2 Num_heavy_atoms: 11
TPSA: 75.71 NumAromaticRings: 0
AD09082
Formula: C72H89O19N10Cl

Smiles:
CCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)C1NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3)C(OC3CC(C)(N)C(O)C(C)O3)C(NC1=O)C(=O)NC2C(=O)O
HBA: 29 RingCount: 11
HBD: 19 FractionCSP3: 0.46
AlogP: 5.21 Num_rotatable_bonds: 21
MolWt: 1422.0 Num_heavy_atoms: 101
TPSA: 463.37 NumAromaticRings: 5

Sugarmoiety
SD00003

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