Glycoside
...
GD114453

Name:
1-(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,3b,11-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)ethyl 2-methylbut-2-enoate

Formula:
C47H78O17

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6)C(C)O5)CCC4(C)C3CC(O)C12C

Aglycone:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(O)C12C

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 6 FractionCSP3: 0.94
AlogP: 2.8 Num_rotatable_bonds: 12
MolWt: 915.12 Num_heavy_atoms: 64
TPSA: 230.75 NumAromaticRings: 0

Unique Aglycone
AD45066
Formula: C26H42O7

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(O)C12C
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.88
AlogP: 2.22 Num_rotatable_bonds: 3
MolWt: 466.62 Num_heavy_atoms: 33
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD01107

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