Glycoside
...
GD000041

Name:
None

Formula:
C61H101O16N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN3CCN(CCCc4ccc5c(c4)c(=O)c(C(=O)O)cn5CC)CC3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@H](OC)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC)C1(C)O.CCn1cc(C(=O)O)c(=O)c2cc(CCCN3CCN(CCC(=O)O)CC3)ccc21

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 4 FractionCSP3: 0.8
AlogP: 4.78 Num_rotatable_bonds: 18
MolWt: 1160.5 Num_heavy_atoms: 82
TPSA: 240.93 NumAromaticRings: 2

Unique Aglycone
AD00059
Formula: C31H60O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.97
AlogP: 1.63 Num_rotatable_bonds: 5
MolWt: 604.83 Num_heavy_atoms: 42
TPSA: 141.39 NumAromaticRings: 0
AD00060
Formula: C22H29O5N3

Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(CCCN3CCN(CCC(=O)O)CC3)ccc21
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: 1.74 Num_rotatable_bonds: 9
MolWt: 415.49 Num_heavy_atoms: 30
TPSA: 103.08 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O