Glycoside
...
GD134737

Name:
1-[11-(acetyloxy)-7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-1,3a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl 2-aminobenzoate

Formula:
C51H79O17N

Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CC(OC(C)=O)C3(C)C(O)(C(C)OC(=O)c5ccccc5N)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)c3ccccc3N)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 6 FractionCSP3: 0.84
AlogP: 4.18 Num_rotatable_bonds: 13
MolWt: 978.18 Num_heavy_atoms: 69
TPSA: 242.61 NumAromaticRings: 1

Unique Aglycone
AD47714
Formula: C30H43O7N

Smiles:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(O)(C(C)OC(=O)c3ccccc3N)C12C
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.73
AlogP: 3.61 Num_rotatable_bonds: 4
MolWt: 529.67 Num_heavy_atoms: 38
TPSA: 139.31 NumAromaticRings: 1

Sugarmoiety
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1