Glycoside
...
GD141499

Name:
2-({3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-2-{[6-hydroxy-1-(4-hydroxy-6-methylhept-6-en-2-yl)-6-(hydroxymethyl)-3a,9a,11a-trimethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxan-4-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:
C53H88O22

Smiles:
C=C(C)CC(O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(OC4OC(C)C(O)C(O)C4O)C2OC2OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C2O)C(O)(CO)C1CC3

Aglycone:
C=C(C)CC(O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(O)(CO)C1CC3

Sugarmoiety:
CC1OC(OC2C(O)C(CO)OC(O)C2OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 14 FractionCSP3: 0.92
AlogP: -1.5 Num_rotatable_bonds: 16
MolWt: 1077.27 Num_heavy_atoms: 75
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD56995
Formula: C29H48O4

Smiles:
C=C(C)CC(O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(O)(CO)C1CC3
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.86
AlogP: 5.15 Num_rotatable_bonds: 6
MolWt: 460.7 Num_heavy_atoms: 33
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD07155

CC1OC(OC2C(O)C(CO)OC(O)C2OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O